USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 759 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 SER OG : rot 68:sc= 0.873 USER MOD Set 1.2: A 107 HIS : no HD1:sc= -1.51 K(o=-0.64,f=-9.9!) USER MOD Single : A 64 LYS NZ :NH3+ -146:sc= 0.433 (180deg=-1.85!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 173:sc= 0 (180deg=-0.0324) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -2.82! C(o=-2.8!,f=-6.9!) USER MOD Single : A 79 HIS : no HD1:sc= -1.63! K(o=-1.6!,f=-0.74) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.899 USER MOD Single : A 100 LYS NZ :NH3+ -169:sc= 0.0578 (180deg=-0.436!) USER MOD Single : A 103 ASN : amide:sc=-0.00154 X(o=-0.0015,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.044 K(o=-0.044,f=-1) USER MOD Single : A 109 LYS NZ :NH3+ 138:sc= 1.24 (180deg=0.342) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -2.13! C(o=-2.1!,f=-2.5!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= -1.62! K(o=-1.6!,f=-0.56) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HE2:sc= -0.946 K(o=-0.95,f=-1.9!) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.54) USER MOD Single : A 145 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 153 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 60 1.546 -2.482 0.979 1.00 32.30 N ATOM 2 CA TRP A 60 2.233 -2.157 -0.266 1.00 22.43 C ATOM 3 C TRP A 60 2.639 -3.425 -1.010 1.00 40.42 C ATOM 4 O TRP A 60 3.113 -3.365 -2.145 1.00 1.41 O ATOM 5 CB TRP A 60 3.468 -1.300 0.018 1.00 31.42 C ATOM 6 CG TRP A 60 4.139 -1.636 1.316 1.00 74.43 C ATOM 7 CD1 TRP A 60 4.140 -0.885 2.456 1.00 33.34 C ATOM 8 CD2 TRP A 60 4.908 -2.809 1.604 1.00 13.04 C ATOM 9 NE1 TRP A 60 4.863 -1.520 3.437 1.00 62.52 N ATOM 10 CE2 TRP A 60 5.344 -2.703 2.940 1.00 50.24 C ATOM 11 CE3 TRP A 60 5.268 -3.939 0.866 1.00 65.11 C ATOM 12 CZ2 TRP A 60 6.123 -3.683 3.548 1.00 32.51 C ATOM 13 CZ3 TRP A 60 6.042 -4.911 1.471 1.00 33.42 C ATOM 14 CH2 TRP A 60 6.461 -4.779 2.802 1.00 64.25 C ATOM 0 HA TRP A 60 1.545 -1.593 -0.896 1.00 22.43 H new ATOM 0 HB2 TRP A 60 4.183 -1.425 -0.795 1.00 31.42 H new ATOM 0 HB3 TRP A 60 3.178 -0.249 0.029 1.00 31.42 H new ATOM 0 HD1 TRP A 60 3.645 0.068 2.570 1.00 33.34 H new ATOM 0 HE1 TRP A 60 5.017 -1.168 4.382 1.00 62.52 H new ATOM 0 HE3 TRP A 60 4.947 -4.051 -0.159 1.00 65.11 H new ATOM 0 HZ2 TRP A 60 6.449 -3.582 4.573 1.00 32.51 H new ATOM 0 HZ3 TRP A 60 6.329 -5.787 0.909 1.00 33.42 H new ATOM 0 HH2 TRP A 60 7.062 -5.558 3.247 1.00 64.25 H new ATOM 25 N PHE A 61 2.450 -4.571 -0.365 1.00 51.12 N ATOM 26 CA PHE A 61 2.797 -5.853 -0.967 1.00 24.00 C ATOM 27 C PHE A 61 1.599 -6.455 -1.695 1.00 12.14 C ATOM 28 O PHE A 61 0.460 -6.338 -1.241 1.00 41.33 O ATOM 29 CB PHE A 61 3.298 -6.824 0.104 1.00 24.11 C ATOM 30 CG PHE A 61 3.015 -8.265 -0.213 1.00 13.42 C ATOM 31 CD1 PHE A 61 3.523 -8.848 -1.362 1.00 54.24 C ATOM 32 CD2 PHE A 61 2.239 -9.035 0.639 1.00 65.34 C ATOM 33 CE1 PHE A 61 3.264 -10.173 -1.657 1.00 33.31 C ATOM 34 CE2 PHE A 61 1.978 -10.361 0.350 1.00 73.23 C ATOM 35 CZ PHE A 61 2.489 -10.931 -0.800 1.00 43.41 C ATOM 0 H PHE A 61 2.059 -4.638 0.574 1.00 51.12 H new ATOM 0 HA PHE A 61 3.592 -5.682 -1.693 1.00 24.00 H new ATOM 0 HB2 PHE A 61 4.373 -6.692 0.228 1.00 24.11 H new ATOM 0 HB3 PHE A 61 2.833 -6.572 1.057 1.00 24.11 H new ATOM 0 HD1 PHE A 61 4.129 -8.260 -2.036 1.00 54.24 H new ATOM 0 HD2 PHE A 61 1.834 -8.594 1.538 1.00 65.34 H new ATOM 0 HE1 PHE A 61 3.667 -10.616 -2.556 1.00 33.31 H new ATOM 0 HE2 PHE A 61 1.374 -10.952 1.023 1.00 73.23 H new ATOM 0 HZ PHE A 61 2.283 -11.966 -1.029 1.00 43.41 H new ATOM 45 N PHE A 62 1.864 -7.099 -2.826 1.00 72.32 N ATOM 46 CA PHE A 62 0.808 -7.719 -3.619 1.00 12.34 C ATOM 47 C PHE A 62 1.144 -9.174 -3.931 1.00 5.13 C ATOM 48 O PHE A 62 2.279 -9.499 -4.279 1.00 74.13 O ATOM 49 CB PHE A 62 0.595 -6.942 -4.920 1.00 22.23 C ATOM 50 CG PHE A 62 -0.149 -5.651 -4.733 1.00 31.15 C ATOM 51 CD1 PHE A 62 0.414 -4.610 -4.012 1.00 53.23 C ATOM 52 CD2 PHE A 62 -1.412 -5.479 -5.276 1.00 42.04 C ATOM 53 CE1 PHE A 62 -0.268 -3.420 -3.838 1.00 74.25 C ATOM 54 CE2 PHE A 62 -2.098 -4.292 -5.106 1.00 54.42 C ATOM 55 CZ PHE A 62 -1.527 -3.261 -4.385 1.00 65.44 C ATOM 0 H PHE A 62 2.801 -7.206 -3.215 1.00 72.32 H new ATOM 0 HA PHE A 62 -0.112 -7.695 -3.035 1.00 12.34 H new ATOM 0 HB2 PHE A 62 1.565 -6.731 -5.371 1.00 22.23 H new ATOM 0 HB3 PHE A 62 0.047 -7.569 -5.623 1.00 22.23 H new ATOM 0 HD1 PHE A 62 1.397 -4.730 -3.581 1.00 53.23 H new ATOM 0 HD2 PHE A 62 -1.865 -6.282 -5.838 1.00 42.04 H new ATOM 0 HE1 PHE A 62 0.183 -2.616 -3.275 1.00 74.25 H new ATOM 0 HE2 PHE A 62 -3.081 -4.170 -5.537 1.00 54.42 H new ATOM 0 HZ PHE A 62 -2.063 -2.333 -4.249 1.00 65.44 H new ATOM 65 N GLY A 63 0.149 -10.046 -3.802 1.00 23.30 N ATOM 66 CA GLY A 63 0.359 -11.456 -4.073 1.00 22.41 C ATOM 67 C GLY A 63 0.955 -11.701 -5.445 1.00 53.33 C ATOM 68 O GLY A 63 2.150 -11.496 -5.657 1.00 62.53 O ATOM 0 H GLY A 63 -0.799 -9.801 -3.515 1.00 23.30 H new ATOM 0 HA2 GLY A 63 1.020 -11.874 -3.314 1.00 22.41 H new ATOM 0 HA3 GLY A 63 -0.592 -11.983 -3.994 1.00 22.41 H new ATOM 72 N LYS A 64 0.120 -12.141 -6.381 1.00 2.02 N ATOM 73 CA LYS A 64 0.570 -12.415 -7.741 1.00 12.54 C ATOM 74 C LYS A 64 -0.060 -11.438 -8.729 1.00 0.13 C ATOM 75 O LYS A 64 -1.229 -11.574 -9.090 1.00 71.34 O ATOM 76 CB LYS A 64 0.222 -13.852 -8.135 1.00 51.54 C ATOM 77 CG LYS A 64 0.607 -14.881 -7.087 1.00 4.30 C ATOM 78 CD LYS A 64 2.068 -15.280 -7.208 1.00 64.25 C ATOM 79 CE LYS A 64 2.910 -14.659 -6.104 1.00 52.44 C ATOM 80 NZ LYS A 64 4.206 -15.371 -5.927 1.00 53.40 N ATOM 0 H LYS A 64 -0.872 -12.315 -6.222 1.00 2.02 H new ATOM 0 HA LYS A 64 1.652 -12.289 -7.772 1.00 12.54 H new ATOM 0 HB2 LYS A 64 -0.850 -13.919 -8.321 1.00 51.54 H new ATOM 0 HB3 LYS A 64 0.724 -14.095 -9.072 1.00 51.54 H new ATOM 0 HG2 LYS A 64 0.421 -14.476 -6.092 1.00 4.30 H new ATOM 0 HG3 LYS A 64 -0.023 -15.764 -7.195 1.00 4.30 H new ATOM 0 HD2 LYS A 64 2.154 -16.366 -7.165 1.00 64.25 H new ATOM 0 HD3 LYS A 64 2.452 -14.968 -8.179 1.00 64.25 H new ATOM 0 HE2 LYS A 64 3.100 -13.612 -6.338 1.00 52.44 H new ATOM 0 HE3 LYS A 64 2.353 -14.680 -5.167 1.00 52.44 H new ATOM 0 HZ1 LYS A 64 4.475 -15.358 -4.923 1.00 53.40 H new ATOM 0 HZ2 LYS A 64 4.107 -16.356 -6.246 1.00 53.40 H new ATOM 0 HZ3 LYS A 64 4.942 -14.897 -6.489 1.00 53.40 H new ATOM 94 N ILE A 65 0.722 -10.455 -9.162 1.00 61.11 N ATOM 95 CA ILE A 65 0.241 -9.458 -10.110 1.00 73.23 C ATOM 96 C ILE A 65 1.307 -9.128 -11.149 1.00 50.32 C ATOM 97 O ILE A 65 2.478 -8.924 -10.830 1.00 3.54 O ATOM 98 CB ILE A 65 -0.184 -8.161 -9.397 1.00 20.35 C ATOM 99 CG1 ILE A 65 1.024 -7.502 -8.729 1.00 3.33 C ATOM 100 CG2 ILE A 65 -1.270 -8.452 -8.371 1.00 64.21 C ATOM 101 CD1 ILE A 65 1.417 -6.183 -9.357 1.00 13.23 C ATOM 0 H ILE A 65 1.691 -10.328 -8.871 1.00 61.11 H new ATOM 0 HA ILE A 65 -0.627 -9.890 -10.608 1.00 73.23 H new ATOM 0 HB ILE A 65 -0.587 -7.471 -10.138 1.00 20.35 H new ATOM 0 HG12 ILE A 65 0.803 -7.341 -7.674 1.00 3.33 H new ATOM 0 HG13 ILE A 65 1.872 -8.185 -8.776 1.00 3.33 H new ATOM 0 HG21 ILE A 65 -1.560 -7.526 -7.875 1.00 64.21 H new ATOM 0 HG22 ILE A 65 -2.137 -8.883 -8.871 1.00 64.21 H new ATOM 0 HG23 ILE A 65 -0.892 -9.157 -7.630 1.00 64.21 H new ATOM 0 HD11 ILE A 65 2.280 -5.773 -8.833 1.00 13.23 H new ATOM 0 HD12 ILE A 65 1.670 -6.340 -10.405 1.00 13.23 H new ATOM 0 HD13 ILE A 65 0.584 -5.484 -9.286 1.00 13.23 H new ATOM 113 N PRO A 66 0.894 -9.072 -12.424 1.00 13.40 N ATOM 114 CA PRO A 66 1.797 -8.763 -13.536 1.00 64.53 C ATOM 115 C PRO A 66 2.262 -7.311 -13.520 1.00 63.33 C ATOM 116 O PRO A 66 1.514 -6.414 -13.131 1.00 71.44 O ATOM 117 CB PRO A 66 0.941 -9.037 -14.775 1.00 62.33 C ATOM 118 CG PRO A 66 -0.463 -8.856 -14.313 1.00 13.22 C ATOM 119 CD PRO A 66 -0.488 -9.304 -12.878 1.00 1.04 C ATOM 0 HA PRO A 66 2.712 -9.354 -13.494 1.00 64.53 H new ATOM 0 HB2 PRO A 66 1.183 -8.348 -15.584 1.00 62.33 H new ATOM 0 HB3 PRO A 66 1.106 -10.045 -15.155 1.00 62.33 H new ATOM 0 HG2 PRO A 66 -0.772 -7.814 -14.402 1.00 13.22 H new ATOM 0 HG3 PRO A 66 -1.152 -9.446 -14.918 1.00 13.22 H new ATOM 0 HD2 PRO A 66 -1.205 -8.731 -12.291 1.00 1.04 H new ATOM 0 HD3 PRO A 66 -0.769 -10.353 -12.789 1.00 1.04 H new ATOM 127 N ARG A 67 3.501 -7.087 -13.946 1.00 2.34 N ATOM 128 CA ARG A 67 4.066 -5.743 -13.979 1.00 54.12 C ATOM 129 C ARG A 67 3.036 -4.733 -14.477 1.00 72.04 C ATOM 130 O ARG A 67 2.978 -3.602 -13.996 1.00 40.12 O ATOM 131 CB ARG A 67 5.304 -5.709 -14.876 1.00 62.25 C ATOM 132 CG ARG A 67 5.002 -5.979 -16.342 1.00 25.35 C ATOM 133 CD ARG A 67 6.195 -5.650 -17.226 1.00 10.12 C ATOM 134 NE ARG A 67 7.375 -6.433 -16.868 1.00 34.02 N ATOM 135 CZ ARG A 67 7.509 -7.726 -17.140 1.00 73.23 C ATOM 136 NH1 ARG A 67 6.541 -8.378 -17.771 1.00 4.02 N ATOM 137 NH2 ARG A 67 8.612 -8.370 -16.782 1.00 44.13 N ATOM 0 H ARG A 67 4.132 -7.818 -14.273 1.00 2.34 H new ATOM 0 HA ARG A 67 4.354 -5.472 -12.963 1.00 54.12 H new ATOM 0 HB2 ARG A 67 5.781 -4.733 -14.786 1.00 62.25 H new ATOM 0 HB3 ARG A 67 6.021 -6.448 -14.519 1.00 62.25 H new ATOM 0 HG2 ARG A 67 4.730 -7.026 -16.472 1.00 25.35 H new ATOM 0 HG3 ARG A 67 4.142 -5.385 -16.653 1.00 25.35 H new ATOM 0 HD2 ARG A 67 5.937 -5.839 -18.268 1.00 10.12 H new ATOM 0 HD3 ARG A 67 6.426 -4.588 -17.143 1.00 10.12 H new ATOM 0 HE ARG A 67 8.138 -5.961 -16.383 1.00 34.02 H new ATOM 0 HH11 ARG A 67 5.692 -7.886 -18.048 1.00 4.02 H new ATOM 0 HH12 ARG A 67 6.646 -9.371 -17.979 1.00 4.02 H new ATOM 0 HH21 ARG A 67 9.359 -7.872 -16.297 1.00 44.13 H new ATOM 0 HH22 ARG A 67 8.714 -9.363 -16.992 1.00 44.13 H new ATOM 151 N ALA A 68 2.225 -5.150 -15.445 1.00 24.24 N ATOM 152 CA ALA A 68 1.197 -4.283 -16.007 1.00 24.32 C ATOM 153 C ALA A 68 0.226 -3.813 -14.929 1.00 61.22 C ATOM 154 O ALA A 68 0.035 -2.613 -14.732 1.00 34.12 O ATOM 155 CB ALA A 68 0.448 -5.005 -17.117 1.00 51.31 C ATOM 0 H ALA A 68 2.261 -6.083 -15.856 1.00 24.24 H new ATOM 0 HA ALA A 68 1.686 -3.404 -16.426 1.00 24.32 H new ATOM 0 HB1 ALA A 68 -0.317 -4.346 -17.528 1.00 51.31 H new ATOM 0 HB2 ALA A 68 1.147 -5.285 -17.905 1.00 51.31 H new ATOM 0 HB3 ALA A 68 -0.024 -5.901 -16.714 1.00 51.31 H new ATOM 161 N LYS A 69 -0.386 -4.766 -14.234 1.00 63.23 N ATOM 162 CA LYS A 69 -1.337 -4.451 -13.176 1.00 14.34 C ATOM 163 C LYS A 69 -0.762 -3.412 -12.218 1.00 63.22 C ATOM 164 O LYS A 69 -1.431 -2.443 -11.864 1.00 13.43 O ATOM 165 CB LYS A 69 -1.713 -5.718 -12.405 1.00 24.25 C ATOM 166 CG LYS A 69 -3.210 -5.908 -12.238 1.00 14.45 C ATOM 167 CD LYS A 69 -3.774 -6.849 -13.288 1.00 61.44 C ATOM 168 CE LYS A 69 -4.687 -7.895 -12.667 1.00 73.13 C ATOM 169 NZ LYS A 69 -5.079 -8.943 -13.650 1.00 22.41 N ATOM 0 H LYS A 69 -0.240 -5.764 -14.385 1.00 63.23 H new ATOM 0 HA LYS A 69 -2.232 -4.036 -13.639 1.00 14.34 H new ATOM 0 HB2 LYS A 69 -1.301 -6.584 -12.923 1.00 24.25 H new ATOM 0 HB3 LYS A 69 -1.248 -5.685 -11.420 1.00 24.25 H new ATOM 0 HG2 LYS A 69 -3.419 -6.304 -11.244 1.00 14.45 H new ATOM 0 HG3 LYS A 69 -3.710 -4.942 -12.308 1.00 14.45 H new ATOM 0 HD2 LYS A 69 -4.328 -6.276 -14.031 1.00 61.44 H new ATOM 0 HD3 LYS A 69 -2.956 -7.344 -13.812 1.00 61.44 H new ATOM 0 HE2 LYS A 69 -4.182 -8.361 -11.821 1.00 73.13 H new ATOM 0 HE3 LYS A 69 -5.582 -7.410 -12.277 1.00 73.13 H new ATOM 0 HZ1 LYS A 69 -5.701 -9.637 -13.188 1.00 22.41 H new ATOM 0 HZ2 LYS A 69 -5.583 -8.502 -14.445 1.00 22.41 H new ATOM 0 HZ3 LYS A 69 -4.227 -9.423 -14.004 1.00 22.41 H new ATOM 183 N ALA A 70 0.484 -3.622 -11.805 1.00 11.54 N ATOM 184 CA ALA A 70 1.150 -2.702 -10.891 1.00 43.54 C ATOM 185 C ALA A 70 1.147 -1.280 -11.445 1.00 22.55 C ATOM 186 O ALA A 70 0.706 -0.346 -10.777 1.00 34.24 O ATOM 187 CB ALA A 70 2.575 -3.163 -10.624 1.00 44.22 C ATOM 0 H ALA A 70 1.052 -4.420 -12.089 1.00 11.54 H new ATOM 0 HA ALA A 70 0.598 -2.699 -9.951 1.00 43.54 H new ATOM 0 HB1 ALA A 70 3.060 -2.467 -9.940 1.00 44.22 H new ATOM 0 HB2 ALA A 70 2.558 -4.158 -10.178 1.00 44.22 H new ATOM 0 HB3 ALA A 70 3.129 -3.195 -11.562 1.00 44.22 H new ATOM 193 N GLU A 71 1.643 -1.125 -12.668 1.00 65.41 N ATOM 194 CA GLU A 71 1.699 0.183 -13.309 1.00 54.11 C ATOM 195 C GLU A 71 0.349 0.890 -13.220 1.00 22.01 C ATOM 196 O GLU A 71 0.285 2.112 -13.088 1.00 61.32 O ATOM 197 CB GLU A 71 2.116 0.041 -14.774 1.00 62.33 C ATOM 198 CG GLU A 71 3.439 -0.683 -14.963 1.00 11.04 C ATOM 199 CD GLU A 71 3.523 -1.408 -16.292 1.00 4.40 C ATOM 200 OE1 GLU A 71 2.917 -0.925 -17.271 1.00 43.21 O ATOM 201 OE2 GLU A 71 4.196 -2.458 -16.353 1.00 4.13 O ATOM 0 H GLU A 71 2.012 -1.889 -13.235 1.00 65.41 H new ATOM 0 HA GLU A 71 2.441 0.785 -12.784 1.00 54.11 H new ATOM 0 HB2 GLU A 71 1.337 -0.497 -15.314 1.00 62.33 H new ATOM 0 HB3 GLU A 71 2.187 1.033 -15.221 1.00 62.33 H new ATOM 0 HG2 GLU A 71 4.255 0.036 -14.893 1.00 11.04 H new ATOM 0 HG3 GLU A 71 3.576 -1.400 -14.153 1.00 11.04 H new ATOM 208 N GLU A 72 -0.726 0.112 -13.293 1.00 70.33 N ATOM 209 CA GLU A 72 -2.074 0.663 -13.222 1.00 41.53 C ATOM 210 C GLU A 72 -2.423 1.065 -11.792 1.00 44.51 C ATOM 211 O GLU A 72 -3.059 2.093 -11.563 1.00 54.30 O ATOM 212 CB GLU A 72 -3.093 -0.353 -13.741 1.00 31.22 C ATOM 213 CG GLU A 72 -2.952 -0.655 -15.223 1.00 51.54 C ATOM 214 CD GLU A 72 -3.091 0.585 -16.086 1.00 63.43 C ATOM 215 OE1 GLU A 72 -4.089 1.316 -15.919 1.00 61.14 O ATOM 216 OE2 GLU A 72 -2.200 0.823 -16.929 1.00 20.32 O ATOM 0 H GLU A 72 -0.690 -0.902 -13.401 1.00 70.33 H new ATOM 0 HA GLU A 72 -2.108 1.553 -13.850 1.00 41.53 H new ATOM 0 HB2 GLU A 72 -2.987 -1.281 -13.178 1.00 31.22 H new ATOM 0 HB3 GLU A 72 -4.098 0.023 -13.550 1.00 31.22 H new ATOM 0 HG2 GLU A 72 -1.980 -1.114 -15.406 1.00 51.54 H new ATOM 0 HG3 GLU A 72 -3.708 -1.383 -15.515 1.00 51.54 H new ATOM 223 N MET A 73 -2.001 0.247 -10.834 1.00 63.31 N ATOM 224 CA MET A 73 -2.268 0.517 -9.426 1.00 64.11 C ATOM 225 C MET A 73 -1.536 1.774 -8.966 1.00 15.03 C ATOM 226 O MET A 73 -2.027 2.511 -8.109 1.00 63.00 O ATOM 227 CB MET A 73 -1.845 -0.676 -8.567 1.00 33.32 C ATOM 228 CG MET A 73 -2.619 -1.949 -8.871 1.00 52.33 C ATOM 229 SD MET A 73 -4.402 -1.733 -8.708 1.00 61.14 S ATOM 230 CE MET A 73 -4.899 -1.711 -10.429 1.00 30.50 C ATOM 0 H MET A 73 -1.473 -0.608 -11.007 1.00 63.31 H new ATOM 0 HA MET A 73 -3.340 0.678 -9.309 1.00 64.11 H new ATOM 0 HB2 MET A 73 -0.782 -0.862 -8.717 1.00 33.32 H new ATOM 0 HB3 MET A 73 -1.979 -0.422 -7.516 1.00 33.32 H new ATOM 0 HG2 MET A 73 -2.388 -2.277 -9.884 1.00 52.33 H new ATOM 0 HG3 MET A 73 -2.290 -2.740 -8.197 1.00 52.33 H new ATOM 0 HE1 MET A 73 -5.987 -1.709 -10.493 1.00 30.50 H new ATOM 0 HE2 MET A 73 -4.505 -0.816 -10.910 1.00 30.50 H new ATOM 0 HE3 MET A 73 -4.507 -2.595 -10.932 1.00 30.50 H new ATOM 240 N LEU A 74 -0.362 2.013 -9.539 1.00 11.33 N ATOM 241 CA LEU A 74 0.437 3.182 -9.187 1.00 20.13 C ATOM 242 C LEU A 74 -0.063 4.424 -9.918 1.00 20.23 C ATOM 243 O LEU A 74 -0.174 5.500 -9.330 1.00 62.30 O ATOM 244 CB LEU A 74 1.909 2.937 -9.522 1.00 4.12 C ATOM 245 CG LEU A 74 2.516 1.643 -8.977 1.00 54.30 C ATOM 246 CD1 LEU A 74 3.871 1.380 -9.614 1.00 23.44 C ATOM 247 CD2 LEU A 74 2.639 1.709 -7.462 1.00 24.12 C ATOM 0 H LEU A 74 0.058 1.413 -10.249 1.00 11.33 H new ATOM 0 HA LEU A 74 0.338 3.350 -8.115 1.00 20.13 H new ATOM 0 HB2 LEU A 74 2.019 2.938 -10.606 1.00 4.12 H new ATOM 0 HB3 LEU A 74 2.492 3.776 -9.142 1.00 4.12 H new ATOM 0 HG LEU A 74 1.852 0.817 -9.231 1.00 54.30 H new ATOM 0 HD11 LEU A 74 4.288 0.456 -9.214 1.00 23.44 H new ATOM 0 HD12 LEU A 74 3.754 1.288 -10.694 1.00 23.44 H new ATOM 0 HD13 LEU A 74 4.545 2.208 -9.391 1.00 23.44 H new ATOM 0 HD21 LEU A 74 3.073 0.780 -7.091 1.00 24.12 H new ATOM 0 HD22 LEU A 74 3.281 2.545 -7.185 1.00 24.12 H new ATOM 0 HD23 LEU A 74 1.651 1.849 -7.023 1.00 24.12 H new ATOM 259 N SER A 75 -0.365 4.266 -11.202 1.00 54.34 N ATOM 260 CA SER A 75 -0.852 5.375 -12.014 1.00 55.35 C ATOM 261 C SER A 75 -2.170 5.913 -11.465 1.00 73.02 C ATOM 262 O SER A 75 -2.377 7.124 -11.389 1.00 10.31 O ATOM 263 CB SER A 75 -1.036 4.930 -13.467 1.00 21.35 C ATOM 264 OG SER A 75 -0.991 6.037 -14.349 1.00 53.24 O ATOM 0 H SER A 75 -0.281 3.381 -11.703 1.00 54.34 H new ATOM 0 HA SER A 75 -0.110 6.173 -11.977 1.00 55.35 H new ATOM 0 HB2 SER A 75 -0.256 4.217 -13.734 1.00 21.35 H new ATOM 0 HB3 SER A 75 -1.990 4.414 -13.574 1.00 21.35 H new ATOM 0 HG SER A 75 -1.109 5.726 -15.271 1.00 53.24 H new ATOM 270 N LYS A 76 -3.060 5.003 -11.083 1.00 71.04 N ATOM 271 CA LYS A 76 -4.359 5.383 -10.540 1.00 25.34 C ATOM 272 C LYS A 76 -4.195 6.300 -9.332 1.00 54.42 C ATOM 273 O LYS A 76 -5.095 7.073 -9.003 1.00 70.02 O ATOM 274 CB LYS A 76 -5.153 4.136 -10.143 1.00 5.24 C ATOM 275 CG LYS A 76 -4.526 3.354 -9.001 1.00 60.24 C ATOM 276 CD LYS A 76 -5.582 2.684 -8.138 1.00 52.05 C ATOM 277 CE LYS A 76 -5.628 1.183 -8.378 1.00 24.31 C ATOM 278 NZ LYS A 76 -6.988 0.624 -8.144 1.00 11.54 N ATOM 0 H LYS A 76 -2.905 3.996 -11.140 1.00 71.04 H new ATOM 0 HA LYS A 76 -4.905 5.923 -11.313 1.00 25.34 H new ATOM 0 HB2 LYS A 76 -6.162 4.434 -9.858 1.00 5.24 H new ATOM 0 HB3 LYS A 76 -5.247 3.483 -11.011 1.00 5.24 H new ATOM 0 HG2 LYS A 76 -3.851 2.599 -9.404 1.00 60.24 H new ATOM 0 HG3 LYS A 76 -3.925 4.024 -8.387 1.00 60.24 H new ATOM 0 HD2 LYS A 76 -5.371 2.879 -7.086 1.00 52.05 H new ATOM 0 HD3 LYS A 76 -6.558 3.118 -8.353 1.00 52.05 H new ATOM 0 HE2 LYS A 76 -5.319 0.969 -9.401 1.00 24.31 H new ATOM 0 HE3 LYS A 76 -4.914 0.688 -7.720 1.00 24.31 H new ATOM 0 HZ1 LYS A 76 -6.977 -0.401 -8.318 1.00 11.54 H new ATOM 0 HZ2 LYS A 76 -7.273 0.805 -7.160 1.00 11.54 H new ATOM 0 HZ3 LYS A 76 -7.666 1.077 -8.790 1.00 11.54 H new ATOM 292 N GLN A 77 -3.042 6.210 -8.678 1.00 11.33 N ATOM 293 CA GLN A 77 -2.762 7.034 -7.507 1.00 72.33 C ATOM 294 C GLN A 77 -2.685 8.509 -7.886 1.00 15.25 C ATOM 295 O GLN A 77 -2.614 8.855 -9.065 1.00 62.30 O ATOM 296 CB GLN A 77 -1.453 6.595 -6.850 1.00 65.31 C ATOM 297 CG GLN A 77 -1.351 5.093 -6.641 1.00 24.53 C ATOM 298 CD GLN A 77 -2.456 4.550 -5.757 1.00 13.12 C ATOM 299 OE1 GLN A 77 -3.245 5.309 -5.193 1.00 4.34 O ATOM 300 NE2 GLN A 77 -2.520 3.230 -5.632 1.00 34.34 N ATOM 0 H GLN A 77 -2.287 5.576 -8.938 1.00 11.33 H new ATOM 0 HA GLN A 77 -3.578 6.902 -6.797 1.00 72.33 H new ATOM 0 HB2 GLN A 77 -0.618 6.925 -7.468 1.00 65.31 H new ATOM 0 HB3 GLN A 77 -1.354 7.095 -5.887 1.00 65.31 H new ATOM 0 HG2 GLN A 77 -1.386 4.592 -7.609 1.00 24.53 H new ATOM 0 HG3 GLN A 77 -0.385 4.857 -6.195 1.00 24.53 H new ATOM 0 HE21 GLN A 77 -1.846 2.638 -6.117 1.00 34.34 H new ATOM 0 HE22 GLN A 77 -3.244 2.807 -5.051 1.00 34.34 H new ATOM 309 N ARG A 78 -2.701 9.375 -6.877 1.00 54.04 N ATOM 310 CA ARG A 78 -2.635 10.814 -7.105 1.00 33.44 C ATOM 311 C ARG A 78 -1.233 11.345 -6.823 1.00 63.54 C ATOM 312 O ARG A 78 -0.758 12.261 -7.495 1.00 70.02 O ATOM 313 CB ARG A 78 -3.653 11.538 -6.222 1.00 0.22 C ATOM 314 CG ARG A 78 -5.001 10.840 -6.147 1.00 22.44 C ATOM 315 CD ARG A 78 -5.657 10.746 -7.515 1.00 41.33 C ATOM 316 NE ARG A 78 -7.115 10.743 -7.424 1.00 65.44 N ATOM 317 CZ ARG A 78 -7.912 10.379 -8.422 1.00 71.44 C ATOM 318 NH1 ARG A 78 -7.396 9.991 -9.580 1.00 61.43 N ATOM 319 NH2 ARG A 78 -9.229 10.402 -8.263 1.00 32.01 N ATOM 0 H ARG A 78 -2.759 9.105 -5.895 1.00 54.04 H new ATOM 0 HA ARG A 78 -2.873 11.002 -8.152 1.00 33.44 H new ATOM 0 HB2 ARG A 78 -3.246 11.632 -5.215 1.00 0.22 H new ATOM 0 HB3 ARG A 78 -3.798 12.549 -6.603 1.00 0.22 H new ATOM 0 HG2 ARG A 78 -4.871 9.839 -5.735 1.00 22.44 H new ATOM 0 HG3 ARG A 78 -5.655 11.383 -5.465 1.00 22.44 H new ATOM 0 HD2 ARG A 78 -5.334 11.586 -8.130 1.00 41.33 H new ATOM 0 HD3 ARG A 78 -5.323 9.837 -8.015 1.00 41.33 H new ATOM 0 HE ARG A 78 -7.544 11.036 -6.546 1.00 65.44 H new ATOM 0 HH11 ARG A 78 -6.384 9.971 -9.706 1.00 61.43 H new ATOM 0 HH12 ARG A 78 -8.011 9.712 -10.344 1.00 61.43 H new ATOM 0 HH21 ARG A 78 -9.630 10.699 -7.374 1.00 32.01 H new ATOM 0 HH22 ARG A 78 -9.840 10.122 -9.030 1.00 32.01 H new ATOM 333 N HIS A 79 -0.574 10.763 -5.826 1.00 33.13 N ATOM 334 CA HIS A 79 0.774 11.177 -5.455 1.00 42.44 C ATOM 335 C HIS A 79 1.764 10.871 -6.576 1.00 14.51 C ATOM 336 O HIS A 79 1.373 10.447 -7.664 1.00 13.44 O ATOM 337 CB HIS A 79 1.211 10.477 -4.169 1.00 34.45 C ATOM 338 CG HIS A 79 0.068 10.078 -3.286 1.00 53.14 C ATOM 339 ND1 HIS A 79 0.069 8.927 -2.527 1.00 73.13 N ATOM 340 CD2 HIS A 79 -1.117 10.686 -3.043 1.00 40.14 C ATOM 341 CE1 HIS A 79 -1.067 8.843 -1.857 1.00 4.20 C ATOM 342 NE2 HIS A 79 -1.804 9.899 -2.152 1.00 64.32 N ATOM 0 H HIS A 79 -0.952 10.003 -5.260 1.00 33.13 H new ATOM 0 HA HIS A 79 0.763 12.254 -5.287 1.00 42.44 H new ATOM 0 HB2 HIS A 79 1.788 9.589 -4.427 1.00 34.45 H new ATOM 0 HB3 HIS A 79 1.875 11.138 -3.613 1.00 34.45 H new ATOM 0 HD2 HIS A 79 -1.458 11.617 -3.471 1.00 40.14 H new ATOM 0 HE1 HIS A 79 -1.346 8.046 -1.183 1.00 4.20 H new ATOM 0 HE2 HIS A 79 -2.732 10.097 -1.779 1.00 64.32 H new ATOM 350 N ASP A 80 3.045 11.090 -6.303 1.00 1.01 N ATOM 351 CA ASP A 80 4.091 10.837 -7.288 1.00 14.43 C ATOM 352 C ASP A 80 5.230 10.030 -6.675 1.00 64.41 C ATOM 353 O ASP A 80 5.952 10.516 -5.805 1.00 74.40 O ATOM 354 CB ASP A 80 4.626 12.157 -7.844 1.00 42.54 C ATOM 355 CG ASP A 80 3.544 12.989 -8.504 1.00 12.54 C ATOM 356 OD1 ASP A 80 2.915 12.493 -9.462 1.00 4.14 O ATOM 357 OD2 ASP A 80 3.326 14.137 -8.062 1.00 53.41 O ATOM 0 H ASP A 80 3.385 11.442 -5.408 1.00 1.01 H new ATOM 0 HA ASP A 80 3.657 10.258 -8.103 1.00 14.43 H new ATOM 0 HB2 ASP A 80 5.079 12.731 -7.036 1.00 42.54 H new ATOM 0 HB3 ASP A 80 5.414 11.950 -8.569 1.00 42.54 H new ATOM 362 N GLY A 81 5.386 8.792 -7.135 1.00 61.25 N ATOM 363 CA GLY A 81 6.439 7.936 -6.621 1.00 31.12 C ATOM 364 C GLY A 81 5.897 6.767 -5.821 1.00 44.44 C ATOM 365 O GLY A 81 6.586 6.225 -4.958 1.00 3.00 O ATOM 0 H GLY A 81 4.802 8.367 -7.855 1.00 61.25 H new ATOM 0 HA2 GLY A 81 7.034 7.559 -7.452 1.00 31.12 H new ATOM 0 HA3 GLY A 81 7.107 8.524 -5.992 1.00 31.12 H new ATOM 369 N ALA A 82 4.659 6.380 -6.108 1.00 71.30 N ATOM 370 CA ALA A 82 4.026 5.268 -5.410 1.00 15.13 C ATOM 371 C ALA A 82 4.827 3.982 -5.584 1.00 11.45 C ATOM 372 O ALA A 82 5.275 3.662 -6.685 1.00 14.22 O ATOM 373 CB ALA A 82 2.601 5.076 -5.907 1.00 74.51 C ATOM 0 H ALA A 82 4.074 6.820 -6.819 1.00 71.30 H new ATOM 0 HA ALA A 82 4.000 5.507 -4.347 1.00 15.13 H new ATOM 0 HB1 ALA A 82 2.140 4.242 -5.377 1.00 74.51 H new ATOM 0 HB2 ALA A 82 2.026 5.984 -5.724 1.00 74.51 H new ATOM 0 HB3 ALA A 82 2.614 4.864 -6.976 1.00 74.51 H new ATOM 379 N PHE A 83 5.005 3.249 -4.490 1.00 11.24 N ATOM 380 CA PHE A 83 5.754 1.999 -4.521 1.00 63.41 C ATOM 381 C PHE A 83 4.831 0.805 -4.293 1.00 10.41 C ATOM 382 O PHE A 83 3.820 0.912 -3.597 1.00 22.00 O ATOM 383 CB PHE A 83 6.858 2.014 -3.461 1.00 71.24 C ATOM 384 CG PHE A 83 6.353 1.777 -2.067 1.00 1.02 C ATOM 385 CD1 PHE A 83 5.772 2.805 -1.342 1.00 51.23 C ATOM 386 CD2 PHE A 83 6.459 0.526 -1.480 1.00 43.24 C ATOM 387 CE1 PHE A 83 5.307 2.590 -0.059 1.00 3.04 C ATOM 388 CE2 PHE A 83 5.996 0.305 -0.197 1.00 61.10 C ATOM 389 CZ PHE A 83 5.418 1.338 0.514 1.00 4.13 C ATOM 0 H PHE A 83 4.641 3.499 -3.571 1.00 11.24 H new ATOM 0 HA PHE A 83 6.208 1.902 -5.507 1.00 63.41 H new ATOM 0 HB2 PHE A 83 7.596 1.251 -3.706 1.00 71.24 H new ATOM 0 HB3 PHE A 83 7.370 2.976 -3.495 1.00 71.24 H new ATOM 0 HD1 PHE A 83 5.682 3.786 -1.785 1.00 51.23 H new ATOM 0 HD2 PHE A 83 6.909 -0.286 -2.032 1.00 43.24 H new ATOM 0 HE1 PHE A 83 4.857 3.400 0.496 1.00 3.04 H new ATOM 0 HE2 PHE A 83 6.086 -0.674 0.249 1.00 61.10 H new ATOM 0 HZ PHE A 83 5.053 1.167 1.516 1.00 4.13 H new ATOM 399 N LEU A 84 5.185 -0.330 -4.884 1.00 71.32 N ATOM 400 CA LEU A 84 4.389 -1.545 -4.747 1.00 13.13 C ATOM 401 C LEU A 84 5.238 -2.785 -5.006 1.00 60.04 C ATOM 402 O LEU A 84 5.715 -3.000 -6.121 1.00 62.21 O ATOM 403 CB LEU A 84 3.203 -1.513 -5.713 1.00 22.21 C ATOM 404 CG LEU A 84 2.529 -2.857 -5.992 1.00 53.20 C ATOM 405 CD1 LEU A 84 1.121 -2.646 -6.529 1.00 24.45 C ATOM 406 CD2 LEU A 84 3.357 -3.677 -6.970 1.00 44.54 C ATOM 0 H LEU A 84 6.018 -0.435 -5.463 1.00 71.32 H new ATOM 0 HA LEU A 84 4.015 -1.591 -3.724 1.00 13.13 H new ATOM 0 HB2 LEU A 84 2.454 -0.829 -5.314 1.00 22.21 H new ATOM 0 HB3 LEU A 84 3.543 -1.096 -6.661 1.00 22.21 H new ATOM 0 HG LEU A 84 2.460 -3.409 -5.054 1.00 53.20 H new ATOM 0 HD11 LEU A 84 0.656 -3.613 -6.722 1.00 24.45 H new ATOM 0 HD12 LEU A 84 0.530 -2.099 -5.794 1.00 24.45 H new ATOM 0 HD13 LEU A 84 1.167 -2.074 -7.456 1.00 24.45 H new ATOM 0 HD21 LEU A 84 2.862 -4.630 -7.156 1.00 44.54 H new ATOM 0 HD22 LEU A 84 3.458 -3.131 -7.908 1.00 44.54 H new ATOM 0 HD23 LEU A 84 4.345 -3.858 -6.547 1.00 44.54 H new ATOM 418 N ILE A 85 5.421 -3.598 -3.971 1.00 74.05 N ATOM 419 CA ILE A 85 6.209 -4.818 -4.089 1.00 63.21 C ATOM 420 C ILE A 85 5.334 -6.003 -4.483 1.00 53.11 C ATOM 421 O ILE A 85 4.400 -6.363 -3.766 1.00 61.32 O ATOM 422 CB ILE A 85 6.937 -5.148 -2.772 1.00 54.51 C ATOM 423 CG1 ILE A 85 7.812 -3.970 -2.340 1.00 5.25 C ATOM 424 CG2 ILE A 85 7.774 -6.408 -2.930 1.00 44.44 C ATOM 425 CD1 ILE A 85 8.501 -4.185 -1.010 1.00 20.20 C ATOM 0 H ILE A 85 5.034 -3.434 -3.042 1.00 74.05 H new ATOM 0 HA ILE A 85 6.949 -4.640 -4.870 1.00 63.21 H new ATOM 0 HB ILE A 85 6.192 -5.327 -1.997 1.00 54.51 H new ATOM 0 HG12 ILE A 85 8.566 -3.788 -3.106 1.00 5.25 H new ATOM 0 HG13 ILE A 85 7.196 -3.073 -2.280 1.00 5.25 H new ATOM 0 HG21 ILE A 85 8.282 -6.628 -1.991 1.00 44.44 H new ATOM 0 HG22 ILE A 85 7.127 -7.244 -3.197 1.00 44.44 H new ATOM 0 HG23 ILE A 85 8.514 -6.257 -3.716 1.00 44.44 H new ATOM 0 HD11 ILE A 85 9.104 -3.310 -0.767 1.00 20.20 H new ATOM 0 HD12 ILE A 85 7.752 -4.337 -0.233 1.00 20.20 H new ATOM 0 HD13 ILE A 85 9.144 -5.063 -1.071 1.00 20.20 H new ATOM 437 N ARG A 86 5.643 -6.606 -5.627 1.00 11.45 N ATOM 438 CA ARG A 86 4.885 -7.751 -6.116 1.00 14.40 C ATOM 439 C ARG A 86 5.721 -9.025 -6.051 1.00 5.11 C ATOM 440 O ARG A 86 6.949 -8.977 -6.129 1.00 75.02 O ATOM 441 CB ARG A 86 4.420 -7.505 -7.553 1.00 24.41 C ATOM 442 CG ARG A 86 5.562 -7.324 -8.539 1.00 45.42 C ATOM 443 CD ARG A 86 5.223 -6.288 -9.600 1.00 1.23 C ATOM 444 NE ARG A 86 6.419 -5.657 -10.152 1.00 23.44 N ATOM 445 CZ ARG A 86 7.129 -6.174 -11.148 1.00 70.25 C ATOM 446 NH1 ARG A 86 6.764 -7.323 -11.700 1.00 63.40 N ATOM 447 NH2 ARG A 86 8.206 -5.541 -11.596 1.00 13.10 N ATOM 0 H ARG A 86 6.413 -6.320 -6.232 1.00 11.45 H new ATOM 0 HA ARG A 86 4.012 -7.878 -5.475 1.00 14.40 H new ATOM 0 HB2 ARG A 86 3.803 -8.344 -7.875 1.00 24.41 H new ATOM 0 HB3 ARG A 86 3.788 -6.617 -7.575 1.00 24.41 H new ATOM 0 HG2 ARG A 86 6.461 -7.018 -8.004 1.00 45.42 H new ATOM 0 HG3 ARG A 86 5.785 -8.277 -9.018 1.00 45.42 H new ATOM 0 HD2 ARG A 86 4.660 -6.763 -10.404 1.00 1.23 H new ATOM 0 HD3 ARG A 86 4.577 -5.524 -9.167 1.00 1.23 H new ATOM 0 HE ARG A 86 6.726 -4.771 -9.751 1.00 23.44 H new ATOM 0 HH11 ARG A 86 5.936 -7.812 -11.360 1.00 63.40 H new ATOM 0 HH12 ARG A 86 7.311 -7.718 -12.465 1.00 63.40 H new ATOM 0 HH21 ARG A 86 8.489 -4.656 -11.175 1.00 13.10 H new ATOM 0 HH22 ARG A 86 8.750 -5.939 -12.361 1.00 13.10 H new ATOM 461 N GLU A 87 5.048 -10.162 -5.907 1.00 24.22 N ATOM 462 CA GLU A 87 5.731 -11.448 -5.830 1.00 31.52 C ATOM 463 C GLU A 87 5.570 -12.229 -7.131 1.00 51.55 C ATOM 464 O GLU A 87 4.459 -12.397 -7.633 1.00 54.03 O ATOM 465 CB GLU A 87 5.187 -12.270 -4.659 1.00 71.34 C ATOM 466 CG GLU A 87 6.142 -13.350 -4.178 1.00 12.43 C ATOM 467 CD GLU A 87 5.506 -14.282 -3.165 1.00 75.03 C ATOM 468 OE1 GLU A 87 4.931 -13.780 -2.176 1.00 70.05 O ATOM 469 OE2 GLU A 87 5.582 -15.513 -3.361 1.00 42.22 O ATOM 0 H GLU A 87 4.032 -10.219 -5.841 1.00 24.22 H new ATOM 0 HA GLU A 87 6.792 -11.257 -5.670 1.00 31.52 H new ATOM 0 HB2 GLU A 87 4.962 -11.600 -3.829 1.00 71.34 H new ATOM 0 HB3 GLU A 87 4.247 -12.734 -4.958 1.00 71.34 H new ATOM 0 HG2 GLU A 87 6.488 -13.931 -5.033 1.00 12.43 H new ATOM 0 HG3 GLU A 87 7.020 -12.882 -3.734 1.00 12.43 H new ATOM 476 N SER A 88 6.688 -12.702 -7.673 1.00 52.40 N ATOM 477 CA SER A 88 6.672 -13.460 -8.918 1.00 64.04 C ATOM 478 C SER A 88 5.892 -14.760 -8.753 1.00 32.40 C ATOM 479 O SER A 88 6.006 -15.439 -7.733 1.00 33.01 O ATOM 480 CB SER A 88 8.101 -13.764 -9.373 1.00 2.02 C ATOM 481 OG SER A 88 8.627 -12.700 -10.147 1.00 64.10 O ATOM 0 H SER A 88 7.616 -12.573 -7.269 1.00 52.40 H new ATOM 0 HA SER A 88 6.177 -12.854 -9.677 1.00 64.04 H new ATOM 0 HB2 SER A 88 8.735 -13.933 -8.503 1.00 2.02 H new ATOM 0 HB3 SER A 88 8.112 -14.684 -9.958 1.00 2.02 H new ATOM 0 HG SER A 88 9.541 -12.918 -10.424 1.00 64.10 H new ATOM 487 N GLU A 89 5.099 -15.100 -9.764 1.00 72.15 N ATOM 488 CA GLU A 89 4.298 -16.318 -9.731 1.00 23.52 C ATOM 489 C GLU A 89 5.134 -17.530 -10.136 1.00 12.44 C ATOM 490 O GLU A 89 4.981 -18.617 -9.579 1.00 10.45 O ATOM 491 CB GLU A 89 3.089 -16.186 -10.659 1.00 32.33 C ATOM 492 CG GLU A 89 3.425 -15.589 -12.015 1.00 74.51 C ATOM 493 CD GLU A 89 2.264 -15.664 -12.989 1.00 25.33 C ATOM 494 OE1 GLU A 89 1.466 -16.619 -12.889 1.00 21.20 O ATOM 495 OE2 GLU A 89 2.155 -14.767 -13.851 1.00 3.05 O ATOM 0 H GLU A 89 4.994 -14.549 -10.616 1.00 72.15 H new ATOM 0 HA GLU A 89 3.948 -16.464 -8.709 1.00 23.52 H new ATOM 0 HB2 GLU A 89 2.644 -17.170 -10.805 1.00 32.33 H new ATOM 0 HB3 GLU A 89 2.336 -15.565 -10.174 1.00 32.33 H new ATOM 0 HG2 GLU A 89 3.720 -14.548 -11.886 1.00 74.51 H new ATOM 0 HG3 GLU A 89 4.283 -16.113 -12.436 1.00 74.51 H new ATOM 502 N SER A 90 6.017 -17.333 -11.109 1.00 72.34 N ATOM 503 CA SER A 90 6.874 -18.410 -11.593 1.00 12.44 C ATOM 504 C SER A 90 8.132 -18.527 -10.738 1.00 62.40 C ATOM 505 O SER A 90 8.882 -19.496 -10.849 1.00 24.52 O ATOM 506 CB SER A 90 7.257 -18.168 -13.054 1.00 11.00 C ATOM 507 OG SER A 90 8.329 -17.247 -13.155 1.00 23.15 O ATOM 0 H SER A 90 6.158 -16.438 -11.578 1.00 72.34 H new ATOM 0 HA SER A 90 6.318 -19.345 -11.521 1.00 12.44 H new ATOM 0 HB2 SER A 90 7.539 -19.112 -13.520 1.00 11.00 H new ATOM 0 HB3 SER A 90 6.394 -17.788 -13.601 1.00 11.00 H new ATOM 0 HG SER A 90 8.556 -17.111 -14.099 1.00 23.15 H new ATOM 513 N ALA A 91 8.356 -17.533 -9.885 1.00 51.24 N ATOM 514 CA ALA A 91 9.521 -17.525 -9.010 1.00 44.31 C ATOM 515 C ALA A 91 9.117 -17.286 -7.559 1.00 73.33 C ATOM 516 O ALA A 91 8.960 -16.150 -7.112 1.00 74.10 O ATOM 517 CB ALA A 91 10.515 -16.465 -9.464 1.00 32.32 C ATOM 0 H ALA A 91 7.745 -16.723 -9.782 1.00 51.24 H new ATOM 0 HA ALA A 91 9.996 -18.504 -9.071 1.00 44.31 H new ATOM 0 HB1 ALA A 91 11.380 -16.470 -8.801 1.00 32.32 H new ATOM 0 HB2 ALA A 91 10.837 -16.681 -10.483 1.00 32.32 H new ATOM 0 HB3 ALA A 91 10.040 -15.484 -9.433 1.00 32.32 H new ATOM 523 N PRO A 92 8.943 -18.382 -6.805 1.00 53.21 N ATOM 524 CA PRO A 92 8.554 -18.317 -5.393 1.00 74.12 C ATOM 525 C PRO A 92 9.668 -17.766 -4.510 1.00 34.34 C ATOM 526 O PRO A 92 10.829 -18.146 -4.650 1.00 4.23 O ATOM 527 CB PRO A 92 8.262 -19.777 -5.038 1.00 63.44 C ATOM 528 CG PRO A 92 9.076 -20.571 -6.002 1.00 11.14 C ATOM 529 CD PRO A 92 9.113 -19.768 -7.272 1.00 52.24 C ATOM 0 HA PRO A 92 7.708 -17.648 -5.233 1.00 74.12 H new ATOM 0 HB2 PRO A 92 8.542 -19.998 -4.008 1.00 63.44 H new ATOM 0 HB3 PRO A 92 7.200 -20.004 -5.136 1.00 63.44 H new ATOM 0 HG2 PRO A 92 10.082 -20.739 -5.617 1.00 11.14 H new ATOM 0 HG3 PRO A 92 8.632 -21.552 -6.173 1.00 11.14 H new ATOM 0 HD2 PRO A 92 10.055 -19.900 -7.803 1.00 52.24 H new ATOM 0 HD3 PRO A 92 8.317 -20.062 -7.956 1.00 52.24 H new ATOM 537 N GLY A 93 9.305 -16.869 -3.598 1.00 52.41 N ATOM 538 CA GLY A 93 10.286 -16.280 -2.705 1.00 34.52 C ATOM 539 C GLY A 93 11.041 -15.134 -3.347 1.00 13.30 C ATOM 540 O GLY A 93 12.114 -14.750 -2.881 1.00 53.10 O ATOM 0 H GLY A 93 8.349 -16.540 -3.462 1.00 52.41 H new ATOM 0 HA2 GLY A 93 9.785 -15.922 -1.806 1.00 34.52 H new ATOM 0 HA3 GLY A 93 10.994 -17.047 -2.392 1.00 34.52 H new ATOM 544 N ASP A 94 10.481 -14.586 -4.420 1.00 70.42 N ATOM 545 CA ASP A 94 11.109 -13.477 -5.128 1.00 51.12 C ATOM 546 C ASP A 94 10.313 -12.190 -4.937 1.00 13.24 C ATOM 547 O ASP A 94 9.124 -12.130 -5.252 1.00 30.15 O ATOM 548 CB ASP A 94 11.231 -13.799 -6.618 1.00 52.45 C ATOM 549 CG ASP A 94 12.656 -14.113 -7.028 1.00 43.42 C ATOM 550 OD1 ASP A 94 13.121 -15.236 -6.743 1.00 44.31 O ATOM 551 OD2 ASP A 94 13.307 -13.235 -7.633 1.00 41.22 O ATOM 0 H ASP A 94 9.593 -14.892 -4.818 1.00 70.42 H new ATOM 0 HA ASP A 94 12.106 -13.331 -4.713 1.00 51.12 H new ATOM 0 HB2 ASP A 94 10.592 -14.649 -6.856 1.00 52.45 H new ATOM 0 HB3 ASP A 94 10.867 -12.953 -7.201 1.00 52.45 H new ATOM 556 N PHE A 95 10.976 -11.162 -4.417 1.00 54.21 N ATOM 557 CA PHE A 95 10.329 -9.876 -4.181 1.00 63.02 C ATOM 558 C PHE A 95 10.838 -8.824 -5.162 1.00 53.33 C ATOM 559 O PHE A 95 12.035 -8.741 -5.435 1.00 3.54 O ATOM 560 CB PHE A 95 10.578 -9.412 -2.744 1.00 71.34 C ATOM 561 CG PHE A 95 9.730 -10.124 -1.730 1.00 31.54 C ATOM 562 CD1 PHE A 95 8.411 -9.752 -1.525 1.00 4.53 C ATOM 563 CD2 PHE A 95 10.252 -11.167 -0.980 1.00 53.51 C ATOM 564 CE1 PHE A 95 7.628 -10.405 -0.592 1.00 2.02 C ATOM 565 CE2 PHE A 95 9.473 -11.824 -0.046 1.00 43.12 C ATOM 566 CZ PHE A 95 8.160 -11.442 0.149 1.00 4.11 C ATOM 0 H PHE A 95 11.960 -11.194 -4.151 1.00 54.21 H new ATOM 0 HA PHE A 95 9.257 -10.003 -4.334 1.00 63.02 H new ATOM 0 HB2 PHE A 95 11.629 -9.564 -2.498 1.00 71.34 H new ATOM 0 HB3 PHE A 95 10.387 -8.341 -2.678 1.00 71.34 H new ATOM 0 HD1 PHE A 95 7.990 -8.942 -2.101 1.00 4.53 H new ATOM 0 HD2 PHE A 95 11.278 -11.469 -1.127 1.00 53.51 H new ATOM 0 HE1 PHE A 95 6.601 -10.105 -0.443 1.00 2.02 H new ATOM 0 HE2 PHE A 95 9.891 -12.636 0.531 1.00 43.12 H new ATOM 0 HZ PHE A 95 7.551 -11.953 0.880 1.00 4.11 H new ATOM 576 N SER A 96 9.918 -8.022 -5.690 1.00 61.44 N ATOM 577 CA SER A 96 10.271 -6.978 -6.645 1.00 4.13 C ATOM 578 C SER A 96 9.473 -5.706 -6.378 1.00 53.31 C ATOM 579 O SER A 96 8.246 -5.740 -6.267 1.00 24.21 O ATOM 580 CB SER A 96 10.023 -7.460 -8.075 1.00 54.54 C ATOM 581 OG SER A 96 8.646 -7.388 -8.405 1.00 43.25 O ATOM 0 H SER A 96 8.923 -8.076 -5.472 1.00 61.44 H new ATOM 0 HA SER A 96 11.331 -6.753 -6.525 1.00 4.13 H new ATOM 0 HB2 SER A 96 10.600 -6.852 -8.772 1.00 54.54 H new ATOM 0 HB3 SER A 96 10.373 -8.487 -8.182 1.00 54.54 H new ATOM 0 HG SER A 96 8.513 -7.700 -9.324 1.00 43.25 H new ATOM 587 N LEU A 97 10.176 -4.584 -6.277 1.00 3.54 N ATOM 588 CA LEU A 97 9.534 -3.298 -6.023 1.00 25.30 C ATOM 589 C LEU A 97 9.207 -2.586 -7.331 1.00 51.42 C ATOM 590 O LEU A 97 10.013 -2.572 -8.261 1.00 62.32 O ATOM 591 CB LEU A 97 10.439 -2.416 -5.161 1.00 13.32 C ATOM 592 CG LEU A 97 9.916 -1.011 -4.860 1.00 51.41 C ATOM 593 CD1 LEU A 97 9.915 -0.160 -6.121 1.00 22.21 C ATOM 594 CD2 LEU A 97 8.519 -1.078 -4.259 1.00 64.35 C ATOM 0 H LEU A 97 11.191 -4.538 -6.367 1.00 3.54 H new ATOM 0 HA LEU A 97 8.602 -3.483 -5.489 1.00 25.30 H new ATOM 0 HB2 LEU A 97 10.616 -2.927 -4.214 1.00 13.32 H new ATOM 0 HB3 LEU A 97 11.404 -2.324 -5.659 1.00 13.32 H new ATOM 0 HG LEU A 97 10.581 -0.546 -4.132 1.00 51.41 H new ATOM 0 HD11 LEU A 97 9.540 0.836 -5.887 1.00 22.21 H new ATOM 0 HD12 LEU A 97 10.931 -0.083 -6.509 1.00 22.21 H new ATOM 0 HD13 LEU A 97 9.274 -0.622 -6.871 1.00 22.21 H new ATOM 0 HD21 LEU A 97 8.163 -0.069 -4.051 1.00 64.35 H new ATOM 0 HD22 LEU A 97 7.843 -1.563 -4.963 1.00 64.35 H new ATOM 0 HD23 LEU A 97 8.549 -1.650 -3.332 1.00 64.35 H new ATOM 606 N SER A 98 8.019 -1.992 -7.395 1.00 21.43 N ATOM 607 CA SER A 98 7.584 -1.279 -8.589 1.00 41.45 C ATOM 608 C SER A 98 7.170 0.150 -8.248 1.00 73.44 C ATOM 609 O SER A 98 6.153 0.373 -7.591 1.00 2.21 O ATOM 610 CB SER A 98 6.419 -2.015 -9.253 1.00 71.13 C ATOM 611 OG SER A 98 6.479 -1.897 -10.664 1.00 73.42 O ATOM 0 H SER A 98 7.341 -1.991 -6.633 1.00 21.43 H new ATOM 0 HA SER A 98 8.423 -1.240 -9.284 1.00 41.45 H new ATOM 0 HB2 SER A 98 6.442 -3.068 -8.972 1.00 71.13 H new ATOM 0 HB3 SER A 98 5.474 -1.609 -8.891 1.00 71.13 H new ATOM 0 HG SER A 98 7.258 -2.387 -11.000 1.00 73.42 H new ATOM 617 N VAL A 99 7.965 1.114 -8.701 1.00 21.23 N ATOM 618 CA VAL A 99 7.682 2.521 -8.445 1.00 51.13 C ATOM 619 C VAL A 99 7.236 3.232 -9.718 1.00 64.23 C ATOM 620 O VAL A 99 7.719 2.933 -10.811 1.00 53.10 O ATOM 621 CB VAL A 99 8.913 3.246 -7.870 1.00 20.13 C ATOM 622 CG1 VAL A 99 9.142 4.565 -8.591 1.00 54.50 C ATOM 623 CG2 VAL A 99 8.749 3.468 -6.374 1.00 31.02 C ATOM 0 H VAL A 99 8.810 0.946 -9.247 1.00 21.23 H new ATOM 0 HA VAL A 99 6.876 2.553 -7.712 1.00 51.13 H new ATOM 0 HB VAL A 99 9.789 2.617 -8.027 1.00 20.13 H new ATOM 0 HG11 VAL A 99 10.016 5.062 -8.171 1.00 54.50 H new ATOM 0 HG12 VAL A 99 9.307 4.376 -9.652 1.00 54.50 H new ATOM 0 HG13 VAL A 99 8.267 5.203 -8.468 1.00 54.50 H new ATOM 0 HG21 VAL A 99 9.628 3.981 -5.984 1.00 31.02 H new ATOM 0 HG22 VAL A 99 7.863 4.076 -6.191 1.00 31.02 H new ATOM 0 HG23 VAL A 99 8.639 2.506 -5.873 1.00 31.02 H new ATOM 633 N LYS A 100 6.313 4.175 -9.570 1.00 54.32 N ATOM 634 CA LYS A 100 5.802 4.932 -10.707 1.00 74.32 C ATOM 635 C LYS A 100 6.533 6.263 -10.848 1.00 13.13 C ATOM 636 O LYS A 100 6.664 7.016 -9.882 1.00 74.32 O ATOM 637 CB LYS A 100 4.299 5.177 -10.549 1.00 63.23 C ATOM 638 CG LYS A 100 3.730 6.143 -11.574 1.00 34.40 C ATOM 639 CD LYS A 100 2.243 6.372 -11.358 1.00 22.10 C ATOM 640 CE LYS A 100 1.991 7.455 -10.320 1.00 63.12 C ATOM 641 NZ LYS A 100 1.966 6.903 -8.937 1.00 61.13 N ATOM 0 H LYS A 100 5.903 4.434 -8.673 1.00 54.32 H new ATOM 0 HA LYS A 100 5.976 4.346 -11.609 1.00 74.32 H new ATOM 0 HB2 LYS A 100 3.774 4.225 -10.628 1.00 63.23 H new ATOM 0 HB3 LYS A 100 4.106 5.566 -9.549 1.00 63.23 H new ATOM 0 HG2 LYS A 100 4.259 7.094 -11.512 1.00 34.40 H new ATOM 0 HG3 LYS A 100 3.897 5.751 -12.577 1.00 34.40 H new ATOM 0 HD2 LYS A 100 1.777 6.655 -12.302 1.00 22.10 H new ATOM 0 HD3 LYS A 100 1.773 5.442 -11.037 1.00 22.10 H new ATOM 0 HE2 LYS A 100 2.768 8.216 -10.393 1.00 63.12 H new ATOM 0 HE3 LYS A 100 1.042 7.947 -10.532 1.00 63.12 H new ATOM 0 HZ1 LYS A 100 1.611 7.627 -8.281 1.00 61.13 H new ATOM 0 HZ2 LYS A 100 1.342 6.072 -8.906 1.00 61.13 H new ATOM 0 HZ3 LYS A 100 2.928 6.624 -8.657 1.00 61.13 H new ATOM 655 N PHE A 101 7.006 6.548 -12.056 1.00 41.32 N ATOM 656 CA PHE A 101 7.723 7.790 -12.323 1.00 25.41 C ATOM 657 C PHE A 101 7.098 8.538 -13.497 1.00 23.33 C ATOM 658 O PHE A 101 7.448 8.304 -14.653 1.00 10.31 O ATOM 659 CB PHE A 101 9.197 7.499 -12.615 1.00 40.12 C ATOM 660 CG PHE A 101 10.006 7.205 -11.384 1.00 74.42 C ATOM 661 CD1 PHE A 101 10.054 8.111 -10.338 1.00 4.42 C ATOM 662 CD2 PHE A 101 10.717 6.021 -11.274 1.00 24.13 C ATOM 663 CE1 PHE A 101 10.797 7.843 -9.203 1.00 42.34 C ATOM 664 CE2 PHE A 101 11.462 5.747 -10.142 1.00 14.23 C ATOM 665 CZ PHE A 101 11.503 6.660 -9.106 1.00 35.12 C ATOM 0 H PHE A 101 6.906 5.936 -12.866 1.00 41.32 H new ATOM 0 HA PHE A 101 7.652 8.419 -11.436 1.00 25.41 H new ATOM 0 HB2 PHE A 101 9.263 6.650 -13.295 1.00 40.12 H new ATOM 0 HB3 PHE A 101 9.633 8.355 -13.130 1.00 40.12 H new ATOM 0 HD1 PHE A 101 9.505 9.038 -10.409 1.00 4.42 H new ATOM 0 HD2 PHE A 101 10.689 5.304 -12.081 1.00 24.13 H new ATOM 0 HE1 PHE A 101 10.825 8.558 -8.394 1.00 42.34 H new ATOM 0 HE2 PHE A 101 12.011 4.820 -10.068 1.00 14.23 H new ATOM 0 HZ PHE A 101 12.086 6.449 -8.222 1.00 35.12 H new ATOM 675 N GLY A 102 6.170 9.439 -13.190 1.00 32.32 N ATOM 676 CA GLY A 102 5.510 10.207 -14.229 1.00 14.01 C ATOM 677 C GLY A 102 4.792 9.327 -15.234 1.00 4.25 C ATOM 678 O GLY A 102 3.758 8.737 -14.925 1.00 10.42 O ATOM 0 H GLY A 102 5.864 9.651 -12.240 1.00 32.32 H new ATOM 0 HA2 GLY A 102 4.794 10.890 -13.772 1.00 14.01 H new ATOM 0 HA3 GLY A 102 6.248 10.819 -14.748 1.00 14.01 H new ATOM 682 N ASN A 103 5.342 9.240 -16.440 1.00 45.13 N ATOM 683 CA ASN A 103 4.747 8.428 -17.495 1.00 31.52 C ATOM 684 C ASN A 103 5.554 7.153 -17.721 1.00 64.02 C ATOM 685 O ASN A 103 5.389 6.473 -18.734 1.00 20.21 O ATOM 686 CB ASN A 103 4.660 9.227 -18.796 1.00 40.42 C ATOM 687 CG ASN A 103 3.242 9.658 -19.117 1.00 34.13 C ATOM 688 OD1 ASN A 103 2.616 10.392 -18.351 1.00 71.35 O ATOM 689 ND2 ASN A 103 2.728 9.202 -20.253 1.00 35.42 N ATOM 0 H ASN A 103 6.199 9.722 -16.711 1.00 45.13 H new ATOM 0 HA ASN A 103 3.741 8.150 -17.180 1.00 31.52 H new ATOM 0 HB2 ASN A 103 5.296 10.109 -18.721 1.00 40.42 H new ATOM 0 HB3 ASN A 103 5.048 8.623 -19.616 1.00 40.42 H new ATOM 0 HD21 ASN A 103 1.778 9.458 -20.522 1.00 35.42 H new ATOM 0 HD22 ASN A 103 3.283 8.596 -20.857 1.00 35.42 H new ATOM 696 N ASP A 104 6.427 6.836 -16.771 1.00 62.23 N ATOM 697 CA ASP A 104 7.260 5.642 -16.865 1.00 54.25 C ATOM 698 C ASP A 104 7.358 4.940 -15.515 1.00 2.45 C ATOM 699 O ASP A 104 7.744 5.547 -14.515 1.00 33.31 O ATOM 700 CB ASP A 104 8.657 6.007 -17.368 1.00 4.55 C ATOM 701 CG ASP A 104 8.820 5.763 -18.855 1.00 4.51 C ATOM 702 OD1 ASP A 104 8.405 4.685 -19.328 1.00 24.13 O ATOM 703 OD2 ASP A 104 9.364 6.651 -19.546 1.00 72.30 O ATOM 0 H ASP A 104 6.576 7.389 -15.927 1.00 62.23 H new ATOM 0 HA ASP A 104 6.794 4.959 -17.575 1.00 54.25 H new ATOM 0 HB2 ASP A 104 8.855 7.057 -17.151 1.00 4.55 H new ATOM 0 HB3 ASP A 104 9.400 5.424 -16.824 1.00 4.55 H new ATOM 708 N VAL A 105 7.006 3.659 -15.492 1.00 31.21 N ATOM 709 CA VAL A 105 7.055 2.874 -14.264 1.00 55.11 C ATOM 710 C VAL A 105 8.335 2.050 -14.189 1.00 0.22 C ATOM 711 O VAL A 105 8.607 1.228 -15.063 1.00 22.10 O ATOM 712 CB VAL A 105 5.842 1.930 -14.153 1.00 5.32 C ATOM 713 CG1 VAL A 105 5.908 1.127 -12.863 1.00 14.13 C ATOM 714 CG2 VAL A 105 4.544 2.719 -14.234 1.00 43.04 C ATOM 0 H VAL A 105 6.684 3.142 -16.310 1.00 31.21 H new ATOM 0 HA VAL A 105 7.033 3.581 -13.435 1.00 55.11 H new ATOM 0 HB VAL A 105 5.868 1.232 -14.990 1.00 5.32 H new ATOM 0 HG11 VAL A 105 5.044 0.466 -12.801 1.00 14.13 H new ATOM 0 HG12 VAL A 105 6.821 0.532 -12.851 1.00 14.13 H new ATOM 0 HG13 VAL A 105 5.906 1.807 -12.011 1.00 14.13 H new ATOM 0 HG21 VAL A 105 3.698 2.037 -14.154 1.00 43.04 H new ATOM 0 HG22 VAL A 105 4.506 3.442 -13.419 1.00 43.04 H new ATOM 0 HG23 VAL A 105 4.497 3.245 -15.187 1.00 43.04 H new ATOM 724 N GLN A 106 9.117 2.277 -13.138 1.00 70.32 N ATOM 725 CA GLN A 106 10.370 1.555 -12.949 1.00 74.32 C ATOM 726 C GLN A 106 10.212 0.455 -11.905 1.00 34.51 C ATOM 727 O GLN A 106 9.169 0.342 -11.260 1.00 34.50 O ATOM 728 CB GLN A 106 11.480 2.519 -12.527 1.00 72.14 C ATOM 729 CG GLN A 106 11.819 3.556 -13.585 1.00 50.45 C ATOM 730 CD GLN A 106 13.005 4.417 -13.199 1.00 43.53 C ATOM 731 OE1 GLN A 106 13.645 4.189 -12.172 1.00 53.10 O ATOM 732 NE2 GLN A 106 13.306 5.415 -14.023 1.00 24.31 N ATOM 0 H GLN A 106 8.905 2.954 -12.405 1.00 70.32 H new ATOM 0 HA GLN A 106 10.641 1.093 -13.899 1.00 74.32 H new ATOM 0 HB2 GLN A 106 11.178 3.030 -11.613 1.00 72.14 H new ATOM 0 HB3 GLN A 106 12.377 1.946 -12.291 1.00 72.14 H new ATOM 0 HG2 GLN A 106 12.032 3.052 -14.527 1.00 50.45 H new ATOM 0 HG3 GLN A 106 10.952 4.194 -13.754 1.00 50.45 H new ATOM 0 HE21 GLN A 106 12.749 5.568 -14.864 1.00 24.31 H new ATOM 0 HE22 GLN A 106 14.094 6.028 -13.815 1.00 24.31 H new ATOM 741 N HIS A 107 11.253 -0.355 -11.743 1.00 63.32 N ATOM 742 CA HIS A 107 11.230 -1.447 -10.776 1.00 70.24 C ATOM 743 C HIS A 107 12.632 -1.736 -10.249 1.00 63.23 C ATOM 744 O HIS A 107 13.627 -1.309 -10.835 1.00 41.33 O ATOM 745 CB HIS A 107 10.642 -2.707 -11.412 1.00 71.14 C ATOM 746 CG HIS A 107 9.635 -2.423 -12.484 1.00 43.04 C ATOM 747 ND1 HIS A 107 8.284 -2.646 -12.326 1.00 32.21 N ATOM 748 CD2 HIS A 107 9.789 -1.929 -13.735 1.00 64.12 C ATOM 749 CE1 HIS A 107 7.650 -2.304 -13.433 1.00 44.54 C ATOM 750 NE2 HIS A 107 8.541 -1.865 -14.304 1.00 43.32 N ATOM 0 H HIS A 107 12.123 -0.276 -12.269 1.00 63.32 H new ATOM 0 HA HIS A 107 10.601 -1.144 -9.938 1.00 70.24 H new ATOM 0 HB2 HIS A 107 11.451 -3.303 -11.834 1.00 71.14 H new ATOM 0 HB3 HIS A 107 10.173 -3.311 -10.635 1.00 71.14 H new ATOM 0 HD2 HIS A 107 10.720 -1.639 -14.199 1.00 64.12 H new ATOM 0 HE1 HIS A 107 6.585 -2.372 -13.598 1.00 44.54 H new ATOM 0 HE2 HIS A 107 8.335 -1.533 -15.246 1.00 43.32 H new ATOM 758 N PHE A 108 12.704 -2.463 -9.139 1.00 73.54 N ATOM 759 CA PHE A 108 13.984 -2.808 -8.532 1.00 40.02 C ATOM 760 C PHE A 108 13.966 -4.237 -7.998 1.00 74.20 C ATOM 761 O PHE A 108 13.179 -4.571 -7.112 1.00 32.30 O ATOM 762 CB PHE A 108 14.315 -1.833 -7.400 1.00 53.35 C ATOM 763 CG PHE A 108 14.421 -0.404 -7.852 1.00 34.20 C ATOM 764 CD1 PHE A 108 13.297 0.404 -7.906 1.00 52.40 C ATOM 765 CD2 PHE A 108 15.644 0.130 -8.223 1.00 1.00 C ATOM 766 CE1 PHE A 108 13.391 1.720 -8.321 1.00 32.43 C ATOM 767 CE2 PHE A 108 15.744 1.444 -8.638 1.00 44.50 C ATOM 768 CZ PHE A 108 14.616 2.240 -8.688 1.00 62.12 C ATOM 0 H PHE A 108 11.890 -2.825 -8.641 1.00 73.54 H new ATOM 0 HA PHE A 108 14.753 -2.736 -9.301 1.00 40.02 H new ATOM 0 HB2 PHE A 108 13.546 -1.907 -6.631 1.00 53.35 H new ATOM 0 HB3 PHE A 108 15.257 -2.131 -6.938 1.00 53.35 H new ATOM 0 HD1 PHE A 108 12.336 0.002 -7.621 1.00 52.40 H new ATOM 0 HD2 PHE A 108 16.529 -0.488 -8.187 1.00 1.00 H new ATOM 0 HE1 PHE A 108 12.507 2.340 -8.358 1.00 32.43 H new ATOM 0 HE2 PHE A 108 16.704 1.849 -8.923 1.00 44.50 H new ATOM 0 HZ PHE A 108 14.692 3.267 -9.014 1.00 62.12 H new ATOM 778 N LYS A 109 14.838 -5.078 -8.544 1.00 0.41 N ATOM 779 CA LYS A 109 14.924 -6.471 -8.124 1.00 25.22 C ATOM 780 C LYS A 109 15.514 -6.581 -6.721 1.00 61.03 C ATOM 781 O LYS A 109 16.722 -6.434 -6.531 1.00 54.14 O ATOM 782 CB LYS A 109 15.777 -7.271 -9.111 1.00 62.12 C ATOM 783 CG LYS A 109 14.963 -8.150 -10.045 1.00 22.45 C ATOM 784 CD LYS A 109 15.570 -9.538 -10.174 1.00 14.41 C ATOM 785 CE LYS A 109 15.443 -10.324 -8.878 1.00 63.22 C ATOM 786 NZ LYS A 109 14.087 -10.918 -8.720 1.00 11.02 N ATOM 0 H LYS A 109 15.496 -4.818 -9.279 1.00 0.41 H new ATOM 0 HA LYS A 109 13.915 -6.883 -8.108 1.00 25.22 H new ATOM 0 HB2 LYS A 109 16.375 -6.580 -9.705 1.00 62.12 H new ATOM 0 HB3 LYS A 109 16.474 -7.896 -8.553 1.00 62.12 H new ATOM 0 HG2 LYS A 109 13.942 -8.231 -9.672 1.00 22.45 H new ATOM 0 HG3 LYS A 109 14.907 -7.683 -11.029 1.00 22.45 H new ATOM 0 HD2 LYS A 109 15.074 -10.080 -10.979 1.00 14.41 H new ATOM 0 HD3 LYS A 109 16.622 -9.452 -10.447 1.00 14.41 H new ATOM 0 HE2 LYS A 109 16.191 -11.117 -8.859 1.00 63.22 H new ATOM 0 HE3 LYS A 109 15.653 -9.668 -8.033 1.00 63.22 H new ATOM 0 HZ1 LYS A 109 14.173 -11.888 -8.354 1.00 11.02 H new ATOM 0 HZ2 LYS A 109 13.532 -10.345 -8.053 1.00 11.02 H new ATOM 0 HZ3 LYS A 109 13.607 -10.937 -9.642 1.00 11.02 H new ATOM 800 N VAL A 110 14.655 -6.842 -5.741 1.00 55.15 N ATOM 801 CA VAL A 110 15.091 -6.974 -4.357 1.00 31.24 C ATOM 802 C VAL A 110 15.990 -8.193 -4.178 1.00 15.33 C ATOM 803 O VAL A 110 15.614 -9.312 -4.530 1.00 44.32 O ATOM 804 CB VAL A 110 13.891 -7.090 -3.399 1.00 34.15 C ATOM 805 CG1 VAL A 110 14.352 -7.519 -2.014 1.00 73.51 C ATOM 806 CG2 VAL A 110 13.133 -5.773 -3.332 1.00 41.44 C ATOM 0 H VAL A 110 13.652 -6.966 -5.881 1.00 55.15 H new ATOM 0 HA VAL A 110 15.654 -6.072 -4.115 1.00 31.24 H new ATOM 0 HB VAL A 110 13.215 -7.853 -3.784 1.00 34.15 H new ATOM 0 HG11 VAL A 110 13.490 -7.595 -1.351 1.00 73.51 H new ATOM 0 HG12 VAL A 110 14.847 -8.488 -2.079 1.00 73.51 H new ATOM 0 HG13 VAL A 110 15.050 -6.781 -1.618 1.00 73.51 H new ATOM 0 HG21 VAL A 110 12.288 -5.874 -2.650 1.00 41.44 H new ATOM 0 HG22 VAL A 110 13.798 -4.988 -2.972 1.00 41.44 H new ATOM 0 HG23 VAL A 110 12.768 -5.512 -4.326 1.00 41.44 H new ATOM 816 N LEU A 111 17.178 -7.969 -3.627 1.00 53.23 N ATOM 817 CA LEU A 111 18.131 -9.049 -3.400 1.00 65.02 C ATOM 818 C LEU A 111 17.922 -9.681 -2.028 1.00 2.44 C ATOM 819 O LEU A 111 17.720 -8.980 -1.035 1.00 64.34 O ATOM 820 CB LEU A 111 19.564 -8.525 -3.520 1.00 54.01 C ATOM 821 CG LEU A 111 20.282 -8.829 -4.835 1.00 73.14 C ATOM 822 CD1 LEU A 111 20.306 -10.327 -5.096 1.00 24.20 C ATOM 823 CD2 LEU A 111 19.614 -8.096 -5.990 1.00 33.14 C ATOM 0 H LEU A 111 17.504 -7.049 -3.329 1.00 53.23 H new ATOM 0 HA LEU A 111 17.965 -9.812 -4.160 1.00 65.02 H new ATOM 0 HB2 LEU A 111 19.547 -7.444 -3.380 1.00 54.01 H new ATOM 0 HB3 LEU A 111 20.152 -8.943 -2.703 1.00 54.01 H new ATOM 0 HG LEU A 111 21.311 -8.478 -4.754 1.00 73.14 H new ATOM 0 HD11 LEU A 111 20.821 -10.524 -6.036 1.00 24.20 H new ATOM 0 HD12 LEU A 111 20.830 -10.830 -4.283 1.00 24.20 H new ATOM 0 HD13 LEU A 111 19.284 -10.702 -5.156 1.00 24.20 H new ATOM 0 HD21 LEU A 111 20.139 -8.324 -6.918 1.00 33.14 H new ATOM 0 HD22 LEU A 111 18.575 -8.416 -6.072 1.00 33.14 H new ATOM 0 HD23 LEU A 111 19.649 -7.022 -5.808 1.00 33.14 H new ATOM 835 N ARG A 112 17.974 -11.008 -1.979 1.00 12.35 N ATOM 836 CA ARG A 112 17.791 -11.734 -0.728 1.00 11.45 C ATOM 837 C ARG A 112 18.845 -12.826 -0.574 1.00 3.25 C ATOM 838 O ARG A 112 19.272 -13.433 -1.556 1.00 24.14 O ATOM 839 CB ARG A 112 16.392 -12.349 -0.670 1.00 75.12 C ATOM 840 CG ARG A 112 16.156 -13.425 -1.717 1.00 62.33 C ATOM 841 CD ARG A 112 14.840 -13.212 -2.449 1.00 63.22 C ATOM 842 NE ARG A 112 15.029 -13.103 -3.893 1.00 53.43 N ATOM 843 CZ ARG A 112 15.348 -14.130 -4.673 1.00 4.43 C ATOM 844 NH1 ARG A 112 15.514 -15.337 -4.150 1.00 11.32 N ATOM 845 NH2 ARG A 112 15.503 -13.950 -5.978 1.00 75.44 N ATOM 0 H ARG A 112 18.141 -11.602 -2.791 1.00 12.35 H new ATOM 0 HA ARG A 112 17.903 -11.026 0.093 1.00 11.45 H new ATOM 0 HB2 ARG A 112 16.233 -12.776 0.320 1.00 75.12 H new ATOM 0 HB3 ARG A 112 15.652 -11.560 -0.799 1.00 75.12 H new ATOM 0 HG2 ARG A 112 16.977 -13.422 -2.434 1.00 62.33 H new ATOM 0 HG3 ARG A 112 16.153 -14.405 -1.239 1.00 62.33 H new ATOM 0 HD2 ARG A 112 14.167 -14.041 -2.233 1.00 63.22 H new ATOM 0 HD3 ARG A 112 14.360 -12.307 -2.077 1.00 63.22 H new ATOM 0 HE ARG A 112 14.909 -12.188 -4.327 1.00 53.43 H new ATOM 0 HH11 ARG A 112 15.397 -15.479 -3.147 1.00 11.32 H new ATOM 0 HH12 ARG A 112 15.759 -16.124 -4.751 1.00 11.32 H new ATOM 0 HH21 ARG A 112 15.377 -13.022 -6.383 1.00 75.44 H new ATOM 0 HH22 ARG A 112 15.748 -14.739 -6.576 1.00 75.44 H new ATOM 859 N ASP A 113 19.261 -13.069 0.664 1.00 33.35 N ATOM 860 CA ASP A 113 20.265 -14.088 0.948 1.00 73.55 C ATOM 861 C ASP A 113 19.605 -15.415 1.312 1.00 10.33 C ATOM 862 O ASP A 113 18.383 -15.546 1.262 1.00 71.43 O ATOM 863 CB ASP A 113 21.181 -13.631 2.084 1.00 53.23 C ATOM 864 CG ASP A 113 22.627 -14.024 1.856 1.00 71.43 C ATOM 865 OD1 ASP A 113 22.906 -15.239 1.780 1.00 73.14 O ATOM 866 OD2 ASP A 113 23.480 -13.118 1.754 1.00 0.23 O ATOM 0 H ASP A 113 18.918 -12.574 1.487 1.00 33.35 H new ATOM 0 HA ASP A 113 20.862 -14.234 0.048 1.00 73.55 H new ATOM 0 HB2 ASP A 113 21.114 -12.548 2.187 1.00 53.23 H new ATOM 0 HB3 ASP A 113 20.834 -14.063 3.023 1.00 53.23 H new ATOM 871 N GLY A 114 20.424 -16.396 1.679 1.00 33.21 N ATOM 872 CA GLY A 114 19.902 -17.700 2.046 1.00 55.34 C ATOM 873 C GLY A 114 19.573 -17.798 3.522 1.00 33.40 C ATOM 874 O GLY A 114 19.801 -18.833 4.148 1.00 62.02 O ATOM 0 H GLY A 114 21.439 -16.311 1.729 1.00 33.21 H new ATOM 0 HA2 GLY A 114 19.005 -17.906 1.462 1.00 55.34 H new ATOM 0 HA3 GLY A 114 20.633 -18.466 1.788 1.00 55.34 H new ATOM 878 N ALA A 115 19.036 -16.718 4.081 1.00 63.44 N ATOM 879 CA ALA A 115 18.675 -16.688 5.493 1.00 44.15 C ATOM 880 C ALA A 115 17.288 -16.087 5.692 1.00 71.43 C ATOM 881 O ALA A 115 16.480 -16.608 6.460 1.00 51.04 O ATOM 882 CB ALA A 115 19.711 -15.904 6.285 1.00 12.31 C ATOM 0 H ALA A 115 18.842 -15.853 3.577 1.00 63.44 H new ATOM 0 HA ALA A 115 18.653 -17.714 5.860 1.00 44.15 H new ATOM 0 HB1 ALA A 115 19.429 -15.889 7.338 1.00 12.31 H new ATOM 0 HB2 ALA A 115 20.687 -16.378 6.177 1.00 12.31 H new ATOM 0 HB3 ALA A 115 19.760 -14.882 5.908 1.00 12.31 H new ATOM 888 N GLY A 116 17.018 -14.987 4.995 1.00 64.41 N ATOM 889 CA GLY A 116 15.728 -14.334 5.110 1.00 12.13 C ATOM 890 C GLY A 116 15.848 -12.826 5.205 1.00 40.21 C ATOM 891 O GLY A 116 15.018 -12.167 5.832 1.00 60.02 O ATOM 0 H GLY A 116 17.670 -14.537 4.353 1.00 64.41 H new ATOM 0 HA2 GLY A 116 15.115 -14.593 4.247 1.00 12.13 H new ATOM 0 HA3 GLY A 116 15.211 -14.711 5.993 1.00 12.13 H new ATOM 895 N LYS A 117 16.885 -12.276 4.582 1.00 22.41 N ATOM 896 CA LYS A 117 17.113 -10.836 4.598 1.00 32.33 C ATOM 897 C LYS A 117 17.042 -10.258 3.188 1.00 32.44 C ATOM 898 O LYS A 117 17.328 -10.948 2.209 1.00 11.14 O ATOM 899 CB LYS A 117 18.474 -10.521 5.222 1.00 23.40 C ATOM 900 CG LYS A 117 18.629 -11.044 6.640 1.00 64.03 C ATOM 901 CD LYS A 117 19.312 -10.026 7.538 1.00 64.23 C ATOM 902 CE LYS A 117 20.506 -10.632 8.260 1.00 32.32 C ATOM 903 NZ LYS A 117 20.168 -11.026 9.656 1.00 12.51 N ATOM 0 H LYS A 117 17.582 -12.807 4.059 1.00 22.41 H new ATOM 0 HA LYS A 117 16.329 -10.376 5.200 1.00 32.33 H new ATOM 0 HB2 LYS A 117 19.258 -10.949 4.598 1.00 23.40 H new ATOM 0 HB3 LYS A 117 18.622 -9.441 5.224 1.00 23.40 H new ATOM 0 HG2 LYS A 117 17.648 -11.290 7.047 1.00 64.03 H new ATOM 0 HG3 LYS A 117 19.209 -11.967 6.627 1.00 64.03 H new ATOM 0 HD2 LYS A 117 19.640 -9.175 6.941 1.00 64.23 H new ATOM 0 HD3 LYS A 117 18.598 -9.647 8.269 1.00 64.23 H new ATOM 0 HE2 LYS A 117 20.857 -11.506 7.711 1.00 32.32 H new ATOM 0 HE3 LYS A 117 21.325 -9.913 8.274 1.00 32.32 H new ATOM 0 HZ1 LYS A 117 21.007 -11.435 10.114 1.00 12.51 H new ATOM 0 HZ2 LYS A 117 19.857 -10.188 10.188 1.00 12.51 H new ATOM 0 HZ3 LYS A 117 19.403 -11.731 9.642 1.00 12.51 H new ATOM 917 N TYR A 118 16.660 -8.990 3.093 1.00 44.43 N ATOM 918 CA TYR A 118 16.551 -8.320 1.802 1.00 2.44 C ATOM 919 C TYR A 118 17.372 -7.034 1.785 1.00 42.21 C ATOM 920 O TYR A 118 17.557 -6.388 2.816 1.00 4.54 O ATOM 921 CB TYR A 118 15.087 -8.007 1.489 1.00 61.35 C ATOM 922 CG TYR A 118 14.121 -9.046 2.011 1.00 71.53 C ATOM 923 CD1 TYR A 118 13.605 -8.959 3.298 1.00 75.44 C ATOM 924 CD2 TYR A 118 13.724 -10.115 1.216 1.00 34.25 C ATOM 925 CE1 TYR A 118 12.722 -9.907 3.779 1.00 62.01 C ATOM 926 CE2 TYR A 118 12.840 -11.067 1.689 1.00 45.21 C ATOM 927 CZ TYR A 118 12.343 -10.959 2.971 1.00 40.41 C ATOM 928 OH TYR A 118 11.463 -11.904 3.446 1.00 2.11 O ATOM 0 H TYR A 118 16.421 -8.405 3.894 1.00 44.43 H new ATOM 0 HA TYR A 118 16.944 -8.991 1.038 1.00 2.44 H new ATOM 0 HB2 TYR A 118 14.832 -7.038 1.918 1.00 61.35 H new ATOM 0 HB3 TYR A 118 14.966 -7.920 0.409 1.00 61.35 H new ATOM 0 HD1 TYR A 118 13.899 -8.137 3.933 1.00 75.44 H new ATOM 0 HD2 TYR A 118 14.113 -10.203 0.212 1.00 34.25 H new ATOM 0 HE1 TYR A 118 12.331 -9.825 4.782 1.00 62.01 H new ATOM 0 HE2 TYR A 118 12.540 -11.891 1.058 1.00 45.21 H new ATOM 0 HH TYR A 118 11.299 -12.576 2.752 1.00 2.11 H new ATOM 938 N PHE A 119 17.862 -6.668 0.605 1.00 73.11 N ATOM 939 CA PHE A 119 18.664 -5.460 0.451 1.00 55.10 C ATOM 940 C PHE A 119 18.916 -5.159 -1.023 1.00 51.35 C ATOM 941 O PHE A 119 18.428 -5.866 -1.906 1.00 21.31 O ATOM 942 CB PHE A 119 19.996 -5.609 1.188 1.00 61.20 C ATOM 943 CG PHE A 119 20.895 -6.656 0.595 1.00 42.02 C ATOM 944 CD1 PHE A 119 20.505 -7.985 0.560 1.00 13.13 C ATOM 945 CD2 PHE A 119 22.131 -6.311 0.072 1.00 22.01 C ATOM 946 CE1 PHE A 119 21.329 -8.951 0.015 1.00 45.43 C ATOM 947 CE2 PHE A 119 22.960 -7.272 -0.475 1.00 71.21 C ATOM 948 CZ PHE A 119 22.559 -8.594 -0.503 1.00 2.23 C ATOM 0 H PHE A 119 17.718 -7.191 -0.259 1.00 73.11 H new ATOM 0 HA PHE A 119 18.109 -4.628 0.884 1.00 55.10 H new ATOM 0 HB2 PHE A 119 20.515 -4.650 1.182 1.00 61.20 H new ATOM 0 HB3 PHE A 119 19.799 -5.858 2.231 1.00 61.20 H new ATOM 0 HD1 PHE A 119 19.545 -8.270 0.964 1.00 13.13 H new ATOM 0 HD2 PHE A 119 22.450 -5.279 0.092 1.00 22.01 H new ATOM 0 HE1 PHE A 119 21.012 -9.983 -0.006 1.00 45.43 H new ATOM 0 HE2 PHE A 119 23.921 -6.990 -0.880 1.00 71.21 H new ATOM 0 HZ PHE A 119 23.206 -9.347 -0.929 1.00 2.23 H new ATOM 958 N LEU A 120 19.681 -4.104 -1.283 1.00 54.10 N ATOM 959 CA LEU A 120 19.998 -3.707 -2.650 1.00 64.35 C ATOM 960 C LEU A 120 21.507 -3.618 -2.855 1.00 3.54 C ATOM 961 O LEU A 120 22.169 -4.622 -3.115 1.00 20.42 O ATOM 962 CB LEU A 120 19.347 -2.362 -2.977 1.00 22.14 C ATOM 963 CG LEU A 120 17.887 -2.415 -3.428 1.00 1.03 C ATOM 964 CD1 LEU A 120 16.973 -2.699 -2.246 1.00 23.02 C ATOM 965 CD2 LEU A 120 17.492 -1.113 -4.109 1.00 51.00 C ATOM 0 H LEU A 120 20.093 -3.508 -0.565 1.00 54.10 H new ATOM 0 HA LEU A 120 19.602 -4.467 -3.323 1.00 64.35 H new ATOM 0 HB2 LEU A 120 19.411 -1.726 -2.094 1.00 22.14 H new ATOM 0 HB3 LEU A 120 19.931 -1.879 -3.760 1.00 22.14 H new ATOM 0 HG LEU A 120 17.778 -3.226 -4.148 1.00 1.03 H new ATOM 0 HD11 LEU A 120 15.938 -2.733 -2.586 1.00 23.02 H new ATOM 0 HD12 LEU A 120 17.240 -3.658 -1.801 1.00 23.02 H new ATOM 0 HD13 LEU A 120 17.085 -1.910 -1.502 1.00 23.02 H new ATOM 0 HD21 LEU A 120 16.450 -1.168 -4.423 1.00 51.00 H new ATOM 0 HD22 LEU A 120 17.617 -0.285 -3.411 1.00 51.00 H new ATOM 0 HD23 LEU A 120 18.126 -0.952 -4.981 1.00 51.00 H new ATOM 977 N TRP A 121 22.044 -2.409 -2.733 1.00 24.11 N ATOM 978 CA TRP A 121 23.476 -2.189 -2.902 1.00 43.20 C ATOM 979 C TRP A 121 24.015 -1.258 -1.821 1.00 63.41 C ATOM 980 O TRP A 121 25.200 -0.924 -1.810 1.00 22.50 O ATOM 981 CB TRP A 121 23.763 -1.603 -4.286 1.00 21.43 C ATOM 982 CG TRP A 121 22.662 -0.726 -4.799 1.00 42.41 C ATOM 983 CD1 TRP A 121 21.831 0.065 -4.058 1.00 2.11 C ATOM 984 CD2 TRP A 121 22.272 -0.551 -6.166 1.00 32.34 C ATOM 985 NE1 TRP A 121 20.948 0.720 -4.881 1.00 54.43 N ATOM 986 CE2 TRP A 121 21.198 0.360 -6.179 1.00 13.00 C ATOM 987 CE3 TRP A 121 22.726 -1.075 -7.379 1.00 41.40 C ATOM 988 CZ2 TRP A 121 20.573 0.756 -7.358 1.00 53.14 C ATOM 989 CZ3 TRP A 121 22.104 -0.681 -8.549 1.00 5.34 C ATOM 990 CH2 TRP A 121 21.038 0.228 -8.532 1.00 31.11 C ATOM 0 H TRP A 121 21.510 -1.567 -2.518 1.00 24.11 H new ATOM 0 HA TRP A 121 23.979 -3.151 -2.811 1.00 43.20 H new ATOM 0 HB2 TRP A 121 24.687 -1.027 -4.244 1.00 21.43 H new ATOM 0 HB3 TRP A 121 23.927 -2.418 -4.991 1.00 21.43 H new ATOM 0 HD1 TRP A 121 21.863 0.161 -2.983 1.00 2.11 H new ATOM 0 HE1 TRP A 121 20.223 1.369 -4.575 1.00 54.43 H new ATOM 0 HE3 TRP A 121 23.548 -1.775 -7.402 1.00 41.40 H new ATOM 0 HZ2 TRP A 121 19.750 1.455 -7.347 1.00 53.14 H new ATOM 0 HZ3 TRP A 121 22.446 -1.081 -9.492 1.00 5.34 H new ATOM 0 HH2 TRP A 121 20.574 0.518 -9.463 1.00 31.11 H new ATOM 1001 N VAL A 122 23.138 -0.843 -0.913 1.00 3.42 N ATOM 1002 CA VAL A 122 23.527 0.049 0.174 1.00 62.44 C ATOM 1003 C VAL A 122 22.853 -0.351 1.481 1.00 74.51 C ATOM 1004 O VAL A 122 23.495 -0.886 2.385 1.00 14.34 O ATOM 1005 CB VAL A 122 23.172 1.513 -0.147 1.00 65.33 C ATOM 1006 CG1 VAL A 122 23.242 2.367 1.110 1.00 75.25 C ATOM 1007 CG2 VAL A 122 24.096 2.060 -1.225 1.00 53.22 C ATOM 0 H VAL A 122 22.154 -1.110 -0.908 1.00 3.42 H new ATOM 0 HA VAL A 122 24.608 -0.039 0.284 1.00 62.44 H new ATOM 0 HB VAL A 122 22.150 1.547 -0.524 1.00 65.33 H new ATOM 0 HG11 VAL A 122 22.988 3.398 0.864 1.00 75.25 H new ATOM 0 HG12 VAL A 122 22.537 1.986 1.848 1.00 75.25 H new ATOM 0 HG13 VAL A 122 24.251 2.330 1.519 1.00 75.25 H new ATOM 0 HG21 VAL A 122 23.832 3.095 -1.440 1.00 53.22 H new ATOM 0 HG22 VAL A 122 25.128 2.014 -0.877 1.00 53.22 H new ATOM 0 HG23 VAL A 122 23.991 1.463 -2.131 1.00 53.22 H new ATOM 1017 N VAL A 123 21.553 -0.090 1.574 1.00 54.11 N ATOM 1018 CA VAL A 123 20.789 -0.424 2.770 1.00 22.13 C ATOM 1019 C VAL A 123 20.390 -1.895 2.774 1.00 22.54 C ATOM 1020 O VAL A 123 20.250 -2.515 1.720 1.00 60.40 O ATOM 1021 CB VAL A 123 19.520 0.441 2.886 1.00 21.11 C ATOM 1022 CG1 VAL A 123 18.591 0.186 1.710 1.00 75.25 C ATOM 1023 CG2 VAL A 123 18.811 0.172 4.205 1.00 71.33 C ATOM 0 H VAL A 123 21.007 0.352 0.835 1.00 54.11 H new ATOM 0 HA VAL A 123 21.435 -0.223 3.624 1.00 22.13 H new ATOM 0 HB VAL A 123 19.813 1.491 2.865 1.00 21.11 H new ATOM 0 HG11 VAL A 123 17.700 0.806 1.809 1.00 75.25 H new ATOM 0 HG12 VAL A 123 19.104 0.434 0.781 1.00 75.25 H new ATOM 0 HG13 VAL A 123 18.302 -0.865 1.696 1.00 75.25 H new ATOM 0 HG21 VAL A 123 17.917 0.792 4.270 1.00 71.33 H new ATOM 0 HG22 VAL A 123 18.529 -0.879 4.259 1.00 71.33 H new ATOM 0 HG23 VAL A 123 19.479 0.411 5.032 1.00 71.33 H new ATOM 1033 N LYS A 124 20.208 -2.450 3.968 1.00 11.00 N ATOM 1034 CA LYS A 124 19.823 -3.849 4.112 1.00 51.14 C ATOM 1035 C LYS A 124 19.164 -4.096 5.465 1.00 52.22 C ATOM 1036 O LYS A 124 19.501 -3.451 6.458 1.00 41.53 O ATOM 1037 CB LYS A 124 21.047 -4.755 3.956 1.00 54.44 C ATOM 1038 CG LYS A 124 22.107 -4.534 5.021 1.00 55.31 C ATOM 1039 CD LYS A 124 23.275 -3.723 4.485 1.00 13.14 C ATOM 1040 CE LYS A 124 24.066 -3.075 5.611 1.00 23.42 C ATOM 1041 NZ LYS A 124 25.393 -3.725 5.802 1.00 73.13 N ATOM 0 H LYS A 124 20.321 -1.951 4.851 1.00 11.00 H new ATOM 0 HA LYS A 124 19.102 -4.084 3.329 1.00 51.14 H new ATOM 0 HB2 LYS A 124 20.724 -5.796 3.987 1.00 54.44 H new ATOM 0 HB3 LYS A 124 21.490 -4.587 2.974 1.00 54.44 H new ATOM 0 HG2 LYS A 124 21.665 -4.018 5.874 1.00 55.31 H new ATOM 0 HG3 LYS A 124 22.467 -5.497 5.383 1.00 55.31 H new ATOM 0 HD2 LYS A 124 23.932 -4.369 3.903 1.00 13.14 H new ATOM 0 HD3 LYS A 124 22.905 -2.953 3.809 1.00 13.14 H new ATOM 0 HE2 LYS A 124 24.208 -2.017 5.393 1.00 23.42 H new ATOM 0 HE3 LYS A 124 23.495 -3.136 6.538 1.00 23.42 H new ATOM 0 HZ1 LYS A 124 25.901 -3.255 6.578 1.00 73.13 H new ATOM 0 HZ2 LYS A 124 25.257 -4.729 6.035 1.00 73.13 H new ATOM 0 HZ3 LYS A 124 25.948 -3.645 4.926 1.00 73.13 H new ATOM 1055 N PHE A 125 18.223 -5.034 5.498 1.00 65.25 N ATOM 1056 CA PHE A 125 17.518 -5.367 6.729 1.00 15.55 C ATOM 1057 C PHE A 125 17.016 -6.807 6.697 1.00 23.44 C ATOM 1058 O PHE A 125 17.214 -7.523 5.716 1.00 4.15 O ATOM 1059 CB PHE A 125 16.342 -4.410 6.943 1.00 61.44 C ATOM 1060 CG PHE A 125 16.742 -2.963 6.955 1.00 53.43 C ATOM 1061 CD1 PHE A 125 17.619 -2.480 7.913 1.00 34.30 C ATOM 1062 CD2 PHE A 125 16.241 -2.084 6.007 1.00 21.15 C ATOM 1063 CE1 PHE A 125 17.987 -1.148 7.927 1.00 62.42 C ATOM 1064 CE2 PHE A 125 16.606 -0.751 6.016 1.00 64.00 C ATOM 1065 CZ PHE A 125 17.482 -0.283 6.976 1.00 15.14 C ATOM 0 H PHE A 125 17.931 -5.577 4.685 1.00 65.25 H new ATOM 0 HA PHE A 125 18.218 -5.264 7.558 1.00 15.55 H new ATOM 0 HB2 PHE A 125 15.606 -4.569 6.154 1.00 61.44 H new ATOM 0 HB3 PHE A 125 15.854 -4.652 7.887 1.00 61.44 H new ATOM 0 HD1 PHE A 125 18.020 -3.152 8.657 1.00 34.30 H new ATOM 0 HD2 PHE A 125 15.558 -2.445 5.253 1.00 21.15 H new ATOM 0 HE1 PHE A 125 18.669 -0.784 8.681 1.00 62.42 H new ATOM 0 HE2 PHE A 125 16.207 -0.076 5.273 1.00 64.00 H new ATOM 0 HZ PHE A 125 17.772 0.757 6.983 1.00 15.14 H new ATOM 1075 N ASN A 126 16.366 -7.226 7.779 1.00 42.34 N ATOM 1076 CA ASN A 126 15.837 -8.581 7.876 1.00 61.34 C ATOM 1077 C ASN A 126 14.454 -8.672 7.238 1.00 30.31 C ATOM 1078 O ASN A 126 14.206 -9.527 6.388 1.00 61.12 O ATOM 1079 CB ASN A 126 15.766 -9.020 9.340 1.00 41.23 C ATOM 1080 CG ASN A 126 14.462 -8.618 10.001 1.00 52.11 C ATOM 1081 OD1 ASN A 126 13.485 -9.367 9.979 1.00 62.21 O ATOM 1082 ND2 ASN A 126 14.441 -7.430 10.593 1.00 15.43 N ATOM 0 H ASN A 126 16.193 -6.646 8.600 1.00 42.34 H new ATOM 0 HA ASN A 126 16.511 -9.247 7.337 1.00 61.34 H new ATOM 0 HB2 ASN A 126 15.881 -10.102 9.398 1.00 41.23 H new ATOM 0 HB3 ASN A 126 16.599 -8.581 9.889 1.00 41.23 H new ATOM 0 HD21 ASN A 126 13.591 -7.105 11.054 1.00 15.43 H new ATOM 0 HD22 ASN A 126 15.275 -6.842 10.587 1.00 15.43 H new ATOM 1089 N SER A 127 13.557 -7.785 7.655 1.00 53.41 N ATOM 1090 CA SER A 127 12.197 -7.766 7.127 1.00 24.44 C ATOM 1091 C SER A 127 12.093 -6.829 5.928 1.00 14.13 C ATOM 1092 O SER A 127 13.027 -6.087 5.621 1.00 21.44 O ATOM 1093 CB SER A 127 11.212 -7.334 8.215 1.00 74.24 C ATOM 1094 OG SER A 127 11.508 -6.030 8.683 1.00 24.21 O ATOM 0 H SER A 127 13.747 -7.070 8.357 1.00 53.41 H new ATOM 0 HA SER A 127 11.946 -8.775 6.799 1.00 24.44 H new ATOM 0 HB2 SER A 127 10.196 -7.360 7.821 1.00 74.24 H new ATOM 0 HB3 SER A 127 11.250 -8.039 9.045 1.00 74.24 H new ATOM 0 HG SER A 127 10.863 -5.777 9.376 1.00 24.21 H new ATOM 1100 N LEU A 128 10.949 -6.868 5.254 1.00 50.45 N ATOM 1101 CA LEU A 128 10.720 -6.022 4.087 1.00 11.11 C ATOM 1102 C LEU A 128 10.260 -4.629 4.506 1.00 20.20 C ATOM 1103 O LEU A 128 10.725 -3.624 3.970 1.00 20.24 O ATOM 1104 CB LEU A 128 9.678 -6.660 3.167 1.00 70.13 C ATOM 1105 CG LEU A 128 10.218 -7.616 2.102 1.00 2.14 C ATOM 1106 CD1 LEU A 128 9.075 -8.253 1.327 1.00 2.32 C ATOM 1107 CD2 LEU A 128 11.163 -6.885 1.159 1.00 33.13 C ATOM 0 H LEU A 128 10.166 -7.476 5.495 1.00 50.45 H new ATOM 0 HA LEU A 128 11.662 -5.926 3.548 1.00 11.11 H new ATOM 0 HB2 LEU A 128 8.962 -7.202 3.784 1.00 70.13 H new ATOM 0 HB3 LEU A 128 9.128 -5.863 2.666 1.00 70.13 H new ATOM 0 HG LEU A 128 10.776 -8.408 2.601 1.00 2.14 H new ATOM 0 HD11 LEU A 128 9.479 -8.930 0.574 1.00 2.32 H new ATOM 0 HD12 LEU A 128 8.437 -8.811 2.012 1.00 2.32 H new ATOM 0 HD13 LEU A 128 8.489 -7.475 0.838 1.00 2.32 H new ATOM 0 HD21 LEU A 128 11.538 -7.581 0.408 1.00 33.13 H new ATOM 0 HD22 LEU A 128 10.629 -6.072 0.667 1.00 33.13 H new ATOM 0 HD23 LEU A 128 12.000 -6.478 1.726 1.00 33.13 H new ATOM 1119 N ASN A 129 9.345 -4.578 5.469 1.00 61.42 N ATOM 1120 CA ASN A 129 8.823 -3.309 5.961 1.00 5.32 C ATOM 1121 C ASN A 129 9.960 -2.346 6.294 1.00 75.14 C ATOM 1122 O ASN A 129 9.878 -1.152 6.007 1.00 71.32 O ATOM 1123 CB ASN A 129 7.954 -3.536 7.200 1.00 62.45 C ATOM 1124 CG ASN A 129 7.450 -2.238 7.799 1.00 41.22 C ATOM 1125 OD1 ASN A 129 6.273 -1.900 7.676 1.00 75.41 O ATOM 1126 ND2 ASN A 129 8.342 -1.502 8.452 1.00 42.03 N ATOM 0 H ASN A 129 8.950 -5.401 5.924 1.00 61.42 H new ATOM 0 HA ASN A 129 8.213 -2.866 5.174 1.00 5.32 H new ATOM 0 HB2 ASN A 129 7.104 -4.164 6.934 1.00 62.45 H new ATOM 0 HB3 ASN A 129 8.530 -4.079 7.949 1.00 62.45 H new ATOM 0 HD21 ASN A 129 8.061 -0.618 8.876 1.00 42.03 H new ATOM 0 HD22 ASN A 129 9.308 -1.821 8.529 1.00 42.03 H new ATOM 1133 N GLU A 130 11.018 -2.875 6.899 1.00 20.04 N ATOM 1134 CA GLU A 130 12.170 -2.062 7.271 1.00 62.13 C ATOM 1135 C GLU A 130 12.836 -1.466 6.034 1.00 4.42 C ATOM 1136 O GLU A 130 13.373 -0.358 6.077 1.00 11.45 O ATOM 1137 CB GLU A 130 13.182 -2.900 8.054 1.00 24.35 C ATOM 1138 CG GLU A 130 13.142 -2.658 9.554 1.00 44.31 C ATOM 1139 CD GLU A 130 14.522 -2.669 10.184 1.00 52.54 C ATOM 1140 OE1 GLU A 130 15.487 -3.056 9.493 1.00 41.33 O ATOM 1141 OE2 GLU A 130 14.635 -2.289 11.368 1.00 24.22 O ATOM 0 H GLU A 130 11.102 -3.862 7.142 1.00 20.04 H new ATOM 0 HA GLU A 130 11.819 -1.246 7.903 1.00 62.13 H new ATOM 0 HB2 GLU A 130 12.994 -3.956 7.860 1.00 24.35 H new ATOM 0 HB3 GLU A 130 14.184 -2.681 7.686 1.00 24.35 H new ATOM 0 HG2 GLU A 130 12.665 -1.698 9.751 1.00 44.31 H new ATOM 0 HG3 GLU A 130 12.525 -3.423 10.025 1.00 44.31 H new ATOM 1148 N LEU A 131 12.799 -2.208 4.933 1.00 14.21 N ATOM 1149 CA LEU A 131 13.399 -1.754 3.683 1.00 14.33 C ATOM 1150 C LEU A 131 12.609 -0.591 3.091 1.00 3.53 C ATOM 1151 O LEU A 131 13.127 0.517 2.950 1.00 4.34 O ATOM 1152 CB LEU A 131 13.464 -2.905 2.678 1.00 14.11 C ATOM 1153 CG LEU A 131 14.768 -3.703 2.655 1.00 34.12 C ATOM 1154 CD1 LEU A 131 14.762 -4.766 3.742 1.00 32.54 C ATOM 1155 CD2 LEU A 131 14.981 -4.337 1.288 1.00 1.41 C ATOM 0 H LEU A 131 12.360 -3.127 4.880 1.00 14.21 H new ATOM 0 HA LEU A 131 14.411 -1.410 3.898 1.00 14.33 H new ATOM 0 HB2 LEU A 131 12.645 -3.592 2.889 1.00 14.11 H new ATOM 0 HB3 LEU A 131 13.291 -2.500 1.681 1.00 14.11 H new ATOM 0 HG LEU A 131 15.594 -3.019 2.849 1.00 34.12 H new ATOM 0 HD11 LEU A 131 15.698 -5.324 3.710 1.00 32.54 H new ATOM 0 HD12 LEU A 131 14.656 -4.289 4.717 1.00 32.54 H new ATOM 0 HD13 LEU A 131 13.927 -5.448 3.579 1.00 32.54 H new ATOM 0 HD21 LEU A 131 15.914 -4.901 1.290 1.00 1.41 H new ATOM 0 HD22 LEU A 131 14.152 -5.008 1.065 1.00 1.41 H new ATOM 0 HD23 LEU A 131 15.030 -3.557 0.529 1.00 1.41 H new ATOM 1167 N VAL A 132 11.351 -0.849 2.748 1.00 25.40 N ATOM 1168 CA VAL A 132 10.489 0.177 2.174 1.00 31.44 C ATOM 1169 C VAL A 132 10.518 1.450 3.012 1.00 34.02 C ATOM 1170 O VAL A 132 10.322 2.550 2.495 1.00 1.01 O ATOM 1171 CB VAL A 132 9.034 -0.315 2.057 1.00 52.21 C ATOM 1172 CG1 VAL A 132 8.941 -1.483 1.088 1.00 63.35 C ATOM 1173 CG2 VAL A 132 8.490 -0.701 3.424 1.00 24.42 C ATOM 0 H VAL A 132 10.906 -1.760 2.858 1.00 25.40 H new ATOM 0 HA VAL A 132 10.873 0.393 1.177 1.00 31.44 H new ATOM 0 HB VAL A 132 8.424 0.500 1.666 1.00 52.21 H new ATOM 0 HG11 VAL A 132 7.906 -1.817 1.019 1.00 63.35 H new ATOM 0 HG12 VAL A 132 9.287 -1.168 0.104 1.00 63.35 H new ATOM 0 HG13 VAL A 132 9.563 -2.303 1.446 1.00 63.35 H new ATOM 0 HG21 VAL A 132 7.461 -1.046 3.322 1.00 24.42 H new ATOM 0 HG22 VAL A 132 9.100 -1.499 3.846 1.00 24.42 H new ATOM 0 HG23 VAL A 132 8.518 0.165 4.085 1.00 24.42 H new ATOM 1183 N ASP A 133 10.763 1.293 4.308 1.00 0.33 N ATOM 1184 CA ASP A 133 10.819 2.431 5.219 1.00 42.02 C ATOM 1185 C ASP A 133 12.027 3.312 4.914 1.00 21.43 C ATOM 1186 O ASP A 133 11.886 4.504 4.640 1.00 32.42 O ATOM 1187 CB ASP A 133 10.877 1.948 6.669 1.00 11.50 C ATOM 1188 CG ASP A 133 11.151 3.077 7.644 1.00 33.41 C ATOM 1189 OD1 ASP A 133 10.754 4.224 7.350 1.00 25.42 O ATOM 1190 OD2 ASP A 133 11.762 2.813 8.701 1.00 61.41 O ATOM 0 H ASP A 133 10.926 0.389 4.752 1.00 0.33 H new ATOM 0 HA ASP A 133 9.915 3.023 5.078 1.00 42.02 H new ATOM 0 HB2 ASP A 133 9.932 1.469 6.928 1.00 11.50 H new ATOM 0 HB3 ASP A 133 11.655 1.191 6.766 1.00 11.50 H new ATOM 1195 N TYR A 134 13.214 2.717 4.965 1.00 11.14 N ATOM 1196 CA TYR A 134 14.447 3.448 4.699 1.00 50.14 C ATOM 1197 C TYR A 134 14.502 3.911 3.246 1.00 64.01 C ATOM 1198 O TYR A 134 15.095 4.944 2.933 1.00 3.13 O ATOM 1199 CB TYR A 134 15.662 2.573 5.013 1.00 15.14 C ATOM 1200 CG TYR A 134 16.969 3.332 5.019 1.00 63.14 C ATOM 1201 CD1 TYR A 134 17.595 3.686 3.830 1.00 54.24 C ATOM 1202 CD2 TYR A 134 17.579 3.695 6.213 1.00 3.31 C ATOM 1203 CE1 TYR A 134 18.790 4.379 3.830 1.00 71.32 C ATOM 1204 CE2 TYR A 134 18.774 4.389 6.223 1.00 51.21 C ATOM 1205 CZ TYR A 134 19.375 4.728 5.029 1.00 44.12 C ATOM 1206 OH TYR A 134 20.565 5.419 5.033 1.00 4.23 O ATOM 0 H TYR A 134 13.348 1.731 5.188 1.00 11.14 H new ATOM 0 HA TYR A 134 14.465 4.327 5.343 1.00 50.14 H new ATOM 0 HB2 TYR A 134 15.519 2.104 5.986 1.00 15.14 H new ATOM 0 HB3 TYR A 134 15.721 1.770 4.278 1.00 15.14 H new ATOM 0 HD1 TYR A 134 17.139 3.415 2.889 1.00 54.24 H new ATOM 0 HD2 TYR A 134 17.111 3.430 7.150 1.00 3.31 H new ATOM 0 HE1 TYR A 134 19.263 4.646 2.897 1.00 71.32 H new ATOM 0 HE2 TYR A 134 19.234 4.664 7.160 1.00 51.21 H new ATOM 0 HH TYR A 134 20.842 5.588 5.958 1.00 4.23 H new ATOM 1216 N HIS A 135 13.879 3.139 2.361 1.00 24.44 N ATOM 1217 CA HIS A 135 13.856 3.469 0.941 1.00 72.22 C ATOM 1218 C HIS A 135 12.910 4.635 0.670 1.00 43.12 C ATOM 1219 O HIS A 135 13.199 5.502 -0.156 1.00 32.33 O ATOM 1220 CB HIS A 135 13.431 2.251 0.120 1.00 52.14 C ATOM 1221 CG HIS A 135 14.521 1.705 -0.750 1.00 21.22 C ATOM 1222 ND1 HIS A 135 14.545 1.867 -2.119 1.00 15.01 N ATOM 1223 CD2 HIS A 135 15.631 0.996 -0.437 1.00 44.43 C ATOM 1224 CE1 HIS A 135 15.621 1.280 -2.611 1.00 50.52 C ATOM 1225 NE2 HIS A 135 16.298 0.745 -1.611 1.00 72.14 N ATOM 0 H HIS A 135 13.384 2.281 2.603 1.00 24.44 H new ATOM 0 HA HIS A 135 14.863 3.764 0.645 1.00 72.22 H new ATOM 0 HB2 HIS A 135 13.091 1.467 0.797 1.00 52.14 H new ATOM 0 HB3 HIS A 135 12.581 2.523 -0.505 1.00 52.14 H new ATOM 0 HD1 HIS A 135 13.842 2.363 -2.666 1.00 15.01 H new ATOM 0 HD2 HIS A 135 15.935 0.686 0.552 1.00 44.43 H new ATOM 0 HE1 HIS A 135 15.900 1.244 -3.654 1.00 50.52 H new ATOM 1233 N ARG A 136 11.780 4.650 1.370 1.00 65.45 N ATOM 1234 CA ARG A 136 10.792 5.708 1.203 1.00 51.14 C ATOM 1235 C ARG A 136 11.247 6.991 1.893 1.00 61.34 C ATOM 1236 O ARG A 136 10.745 8.076 1.601 1.00 42.12 O ATOM 1237 CB ARG A 136 9.440 5.266 1.765 1.00 31.23 C ATOM 1238 CG ARG A 136 9.348 5.365 3.279 1.00 24.03 C ATOM 1239 CD ARG A 136 7.905 5.311 3.755 1.00 60.02 C ATOM 1240 NE ARG A 136 7.785 5.621 5.177 1.00 43.21 N ATOM 1241 CZ ARG A 136 7.782 6.858 5.662 1.00 61.04 C ATOM 1242 NH1 ARG A 136 7.891 7.895 4.842 1.00 20.25 N ATOM 1243 NH2 ARG A 136 7.669 7.059 6.968 1.00 3.52 N ATOM 0 H ARG A 136 11.527 3.941 2.058 1.00 65.45 H new ATOM 0 HA ARG A 136 10.687 5.907 0.137 1.00 51.14 H new ATOM 0 HB2 ARG A 136 8.654 5.877 1.321 1.00 31.23 H new ATOM 0 HB3 ARG A 136 9.251 4.236 1.465 1.00 31.23 H new ATOM 0 HG2 ARG A 136 9.912 4.550 3.733 1.00 24.03 H new ATOM 0 HG3 ARG A 136 9.807 6.296 3.612 1.00 24.03 H new ATOM 0 HD2 ARG A 136 7.307 6.017 3.179 1.00 60.02 H new ATOM 0 HD3 ARG A 136 7.498 4.318 3.565 1.00 60.02 H new ATOM 0 HE ARG A 136 7.699 4.845 5.834 1.00 43.21 H new ATOM 0 HH11 ARG A 136 7.977 7.744 3.837 1.00 20.25 H new ATOM 0 HH12 ARG A 136 7.888 8.844 5.216 1.00 20.25 H new ATOM 0 HH21 ARG A 136 7.584 6.264 7.601 1.00 3.52 H new ATOM 0 HH22 ARG A 136 7.667 8.009 7.339 1.00 3.52 H new ATOM 1257 N SER A 137 12.200 6.857 2.809 1.00 3.23 N ATOM 1258 CA SER A 137 12.720 8.004 3.544 1.00 2.42 C ATOM 1259 C SER A 137 14.027 8.497 2.929 1.00 32.33 C ATOM 1260 O SER A 137 14.484 9.604 3.216 1.00 22.40 O ATOM 1261 CB SER A 137 12.941 7.639 5.013 1.00 33.42 C ATOM 1262 OG SER A 137 12.154 8.453 5.865 1.00 1.13 O ATOM 0 H SER A 137 12.628 5.966 3.060 1.00 3.23 H new ATOM 0 HA SER A 137 11.984 8.806 3.483 1.00 2.42 H new ATOM 0 HB2 SER A 137 12.689 6.591 5.172 1.00 33.42 H new ATOM 0 HB3 SER A 137 13.995 7.756 5.265 1.00 33.42 H new ATOM 0 HG SER A 137 12.312 8.199 6.798 1.00 1.13 H new ATOM 1268 N THR A 138 14.624 7.666 2.081 1.00 64.31 N ATOM 1269 CA THR A 138 15.879 8.014 1.426 1.00 73.15 C ATOM 1270 C THR A 138 15.760 7.891 -0.089 1.00 42.23 C ATOM 1271 O THR A 138 14.964 7.102 -0.597 1.00 60.42 O ATOM 1272 CB THR A 138 17.034 7.120 1.913 1.00 64.32 C ATOM 1273 OG1 THR A 138 18.244 7.881 1.989 1.00 5.44 O ATOM 1274 CG2 THR A 138 17.233 5.935 0.979 1.00 51.30 C ATOM 0 H THR A 138 14.259 6.747 1.831 1.00 64.31 H new ATOM 0 HA THR A 138 16.096 9.049 1.688 1.00 73.15 H new ATOM 0 HB THR A 138 16.779 6.743 2.903 1.00 64.32 H new ATOM 0 HG1 THR A 138 18.973 7.306 2.301 1.00 5.44 H new ATOM 0 HG21 THR A 138 18.054 5.318 1.344 1.00 51.30 H new ATOM 0 HG22 THR A 138 16.320 5.341 0.946 1.00 51.30 H new ATOM 0 HG23 THR A 138 17.468 6.296 -0.022 1.00 51.30 H new ATOM 1282 N SER A 139 16.558 8.677 -0.806 1.00 73.52 N ATOM 1283 CA SER A 139 16.540 8.658 -2.264 1.00 74.42 C ATOM 1284 C SER A 139 16.408 7.231 -2.787 1.00 61.54 C ATOM 1285 O SER A 139 16.704 6.268 -2.080 1.00 30.35 O ATOM 1286 CB SER A 139 17.812 9.301 -2.819 1.00 54.35 C ATOM 1287 OG SER A 139 18.963 8.568 -2.439 1.00 35.54 O ATOM 0 H SER A 139 17.224 9.334 -0.401 1.00 73.52 H new ATOM 0 HA SER A 139 15.676 9.231 -2.600 1.00 74.42 H new ATOM 0 HB2 SER A 139 17.752 9.352 -3.906 1.00 54.35 H new ATOM 0 HB3 SER A 139 17.893 10.325 -2.456 1.00 54.35 H new ATOM 0 HG SER A 139 19.762 8.999 -2.808 1.00 35.54 H new ATOM 1293 N VAL A 140 15.962 7.102 -4.033 1.00 12.31 N ATOM 1294 CA VAL A 140 15.791 5.794 -4.653 1.00 64.21 C ATOM 1295 C VAL A 140 16.249 5.811 -6.107 1.00 42.02 C ATOM 1296 O VAL A 140 16.917 4.886 -6.569 1.00 51.05 O ATOM 1297 CB VAL A 140 14.323 5.331 -4.594 1.00 4.50 C ATOM 1298 CG1 VAL A 140 14.177 3.942 -5.194 1.00 75.41 C ATOM 1299 CG2 VAL A 140 13.814 5.359 -3.161 1.00 31.12 C ATOM 0 H VAL A 140 15.713 7.888 -4.633 1.00 12.31 H new ATOM 0 HA VAL A 140 16.407 5.094 -4.089 1.00 64.21 H new ATOM 0 HB VAL A 140 13.718 6.020 -5.184 1.00 4.50 H new ATOM 0 HG11 VAL A 140 13.133 3.632 -5.144 1.00 75.41 H new ATOM 0 HG12 VAL A 140 14.500 3.959 -6.235 1.00 75.41 H new ATOM 0 HG13 VAL A 140 14.792 3.237 -4.635 1.00 75.41 H new ATOM 0 HG21 VAL A 140 12.775 5.029 -3.137 1.00 31.12 H new ATOM 0 HG22 VAL A 140 14.420 4.694 -2.546 1.00 31.12 H new ATOM 0 HG23 VAL A 140 13.881 6.375 -2.771 1.00 31.12 H new ATOM 1309 N SER A 141 15.886 6.870 -6.824 1.00 31.03 N ATOM 1310 CA SER A 141 16.256 7.007 -8.227 1.00 65.24 C ATOM 1311 C SER A 141 17.650 7.613 -8.365 1.00 14.32 C ATOM 1312 O SER A 141 17.979 8.596 -7.700 1.00 61.14 O ATOM 1313 CB SER A 141 15.235 7.875 -8.964 1.00 51.22 C ATOM 1314 OG SER A 141 14.927 7.332 -10.236 1.00 41.24 O ATOM 0 H SER A 141 15.336 7.646 -6.456 1.00 31.03 H new ATOM 0 HA SER A 141 16.265 6.012 -8.673 1.00 65.24 H new ATOM 0 HB2 SER A 141 14.325 7.955 -8.369 1.00 51.22 H new ATOM 0 HB3 SER A 141 15.629 8.884 -9.082 1.00 51.22 H new ATOM 0 HG SER A 141 14.271 7.904 -10.686 1.00 41.24 H new ATOM 1320 N ARG A 142 18.463 7.020 -9.232 1.00 25.11 N ATOM 1321 CA ARG A 142 19.822 7.500 -9.456 1.00 73.15 C ATOM 1322 C ARG A 142 19.839 8.618 -10.495 1.00 35.30 C ATOM 1323 O ARG A 142 20.860 8.871 -11.132 1.00 1.44 O ATOM 1324 CB ARG A 142 20.722 6.351 -9.914 1.00 23.13 C ATOM 1325 CG ARG A 142 20.671 5.137 -9.001 1.00 24.23 C ATOM 1326 CD ARG A 142 22.061 4.575 -8.743 1.00 12.01 C ATOM 1327 NE ARG A 142 22.506 4.824 -7.374 1.00 64.35 N ATOM 1328 CZ ARG A 142 23.750 4.613 -6.957 1.00 34.13 C ATOM 1329 NH1 ARG A 142 24.666 4.153 -7.797 1.00 71.51 N ATOM 1330 NH2 ARG A 142 24.079 4.863 -5.696 1.00 15.32 N ATOM 0 H ARG A 142 18.205 6.207 -9.791 1.00 25.11 H new ATOM 0 HA ARG A 142 20.201 7.896 -8.514 1.00 73.15 H new ATOM 0 HB2 ARG A 142 20.430 6.051 -10.920 1.00 23.13 H new ATOM 0 HB3 ARG A 142 21.750 6.708 -9.973 1.00 23.13 H new ATOM 0 HG2 ARG A 142 20.207 5.412 -8.054 1.00 24.23 H new ATOM 0 HG3 ARG A 142 20.044 4.368 -9.452 1.00 24.23 H new ATOM 0 HD2 ARG A 142 22.060 3.502 -8.934 1.00 12.01 H new ATOM 0 HD3 ARG A 142 22.768 5.022 -9.441 1.00 12.01 H new ATOM 0 HE ARG A 142 21.825 5.179 -6.702 1.00 64.35 H new ATOM 0 HH11 ARG A 142 24.417 3.960 -8.767 1.00 71.51 H new ATOM 0 HH12 ARG A 142 25.620 3.992 -7.473 1.00 71.51 H new ATOM 0 HH21 ARG A 142 23.377 5.217 -5.046 1.00 15.32 H new ATOM 0 HH22 ARG A 142 25.034 4.701 -5.376 1.00 15.32 H new ATOM 1344 N ASN A 143 18.699 9.282 -10.660 1.00 43.21 N ATOM 1345 CA ASN A 143 18.583 10.372 -11.622 1.00 52.20 C ATOM 1346 C ASN A 143 18.119 11.655 -10.938 1.00 23.54 C ATOM 1347 O ASN A 143 18.756 12.700 -11.062 1.00 51.30 O ATOM 1348 CB ASN A 143 17.606 9.994 -12.737 1.00 34.01 C ATOM 1349 CG ASN A 143 18.229 10.105 -14.115 1.00 3.12 C ATOM 1350 OD1 ASN A 143 17.825 10.938 -14.926 1.00 3.52 O ATOM 1351 ND2 ASN A 143 19.219 9.263 -14.386 1.00 24.55 N ATOM 0 H ASN A 143 17.844 9.084 -10.141 1.00 43.21 H new ATOM 0 HA ASN A 143 19.568 10.548 -12.055 1.00 52.20 H new ATOM 0 HB2 ASN A 143 17.258 8.973 -12.580 1.00 34.01 H new ATOM 0 HB3 ASN A 143 16.731 10.641 -12.684 1.00 34.01 H new ATOM 0 HD21 ASN A 143 19.677 9.291 -15.297 1.00 24.55 H new ATOM 0 HD22 ASN A 143 19.522 8.588 -13.683 1.00 24.55 H new ATOM 1358 N GLN A 144 17.008 11.564 -10.215 1.00 15.51 N ATOM 1359 CA GLN A 144 16.459 12.718 -9.511 1.00 22.41 C ATOM 1360 C GLN A 144 16.266 12.410 -8.030 1.00 20.23 C ATOM 1361 O GLN A 144 16.731 11.384 -7.534 1.00 63.23 O ATOM 1362 CB GLN A 144 15.127 13.136 -10.135 1.00 12.42 C ATOM 1363 CG GLN A 144 15.015 14.632 -10.383 1.00 34.01 C ATOM 1364 CD GLN A 144 16.282 15.223 -10.967 1.00 42.34 C ATOM 1365 OE1 GLN A 144 16.812 14.726 -11.962 1.00 13.32 O ATOM 1366 NE2 GLN A 144 16.776 16.291 -10.352 1.00 25.14 N ATOM 0 H GLN A 144 16.470 10.705 -10.101 1.00 15.51 H new ATOM 0 HA GLN A 144 17.169 13.540 -9.603 1.00 22.41 H new ATOM 0 HB2 GLN A 144 14.996 12.609 -11.080 1.00 12.42 H new ATOM 0 HB3 GLN A 144 14.314 12.823 -9.480 1.00 12.42 H new ATOM 0 HG2 GLN A 144 14.183 14.823 -11.061 1.00 34.01 H new ATOM 0 HG3 GLN A 144 14.783 15.136 -9.445 1.00 34.01 H new ATOM 0 HE21 GLN A 144 16.305 16.670 -9.531 1.00 25.14 H new ATOM 0 HE22 GLN A 144 17.627 16.732 -10.701 1.00 25.14 H new ATOM 1375 N GLN A 145 15.578 13.305 -7.329 1.00 54.21 N ATOM 1376 CA GLN A 145 15.324 13.129 -5.904 1.00 65.30 C ATOM 1377 C GLN A 145 13.841 12.896 -5.639 1.00 74.14 C ATOM 1378 O GLN A 145 13.061 13.844 -5.547 1.00 54.24 O ATOM 1379 CB GLN A 145 15.808 14.352 -5.123 1.00 40.03 C ATOM 1380 CG GLN A 145 16.022 15.582 -5.991 1.00 15.02 C ATOM 1381 CD GLN A 145 16.345 16.820 -5.178 1.00 41.23 C ATOM 1382 OE1 GLN A 145 17.362 16.874 -4.486 1.00 11.31 O ATOM 1383 NE2 GLN A 145 15.480 17.824 -5.258 1.00 54.25 N ATOM 0 H GLN A 145 15.186 14.160 -7.725 1.00 54.21 H new ATOM 0 HA GLN A 145 15.876 12.251 -5.569 1.00 65.30 H new ATOM 0 HB2 GLN A 145 15.081 14.588 -4.346 1.00 40.03 H new ATOM 0 HB3 GLN A 145 16.743 14.105 -4.620 1.00 40.03 H new ATOM 0 HG2 GLN A 145 16.834 15.390 -6.692 1.00 15.02 H new ATOM 0 HG3 GLN A 145 15.125 15.765 -6.583 1.00 15.02 H new ATOM 0 HE21 GLN A 145 14.650 17.736 -5.844 1.00 54.25 H new ATOM 0 HE22 GLN A 145 15.646 18.683 -4.733 1.00 54.25 H new ATOM 1392 N ILE A 146 13.458 11.629 -5.519 1.00 10.24 N ATOM 1393 CA ILE A 146 12.068 11.273 -5.264 1.00 32.31 C ATOM 1394 C ILE A 146 11.963 10.210 -4.175 1.00 3.30 C ATOM 1395 O ILE A 146 12.868 9.393 -4.001 1.00 75.13 O ATOM 1396 CB ILE A 146 11.377 10.754 -6.539 1.00 52.50 C ATOM 1397 CG1 ILE A 146 11.444 11.809 -7.646 1.00 70.50 C ATOM 1398 CG2 ILE A 146 9.932 10.380 -6.244 1.00 21.13 C ATOM 1399 CD1 ILE A 146 11.323 11.231 -9.039 1.00 23.32 C ATOM 0 H ILE A 146 14.091 10.833 -5.594 1.00 10.24 H new ATOM 0 HA ILE A 146 11.566 12.182 -4.932 1.00 32.31 H new ATOM 0 HB ILE A 146 11.900 9.861 -6.881 1.00 52.50 H new ATOM 0 HG12 ILE A 146 10.647 12.536 -7.493 1.00 70.50 H new ATOM 0 HG13 ILE A 146 12.388 12.349 -7.566 1.00 70.50 H new ATOM 0 HG21 ILE A 146 9.457 10.015 -7.155 1.00 21.13 H new ATOM 0 HG22 ILE A 146 9.906 9.599 -5.484 1.00 21.13 H new ATOM 0 HG23 ILE A 146 9.396 11.257 -5.882 1.00 21.13 H new ATOM 0 HD11 ILE A 146 11.379 12.035 -9.773 1.00 23.32 H new ATOM 0 HD12 ILE A 146 12.135 10.525 -9.212 1.00 23.32 H new ATOM 0 HD13 ILE A 146 10.368 10.716 -9.137 1.00 23.32 H new ATOM 1411 N PHE A 147 10.853 10.227 -3.445 1.00 22.44 N ATOM 1412 CA PHE A 147 10.629 9.264 -2.372 1.00 63.05 C ATOM 1413 C PHE A 147 9.474 8.328 -2.715 1.00 31.24 C ATOM 1414 O PHE A 147 8.704 8.586 -3.641 1.00 13.14 O ATOM 1415 CB PHE A 147 10.339 9.991 -1.058 1.00 3.12 C ATOM 1416 CG PHE A 147 11.456 10.892 -0.612 1.00 75.30 C ATOM 1417 CD1 PHE A 147 12.775 10.480 -0.705 1.00 21.31 C ATOM 1418 CD2 PHE A 147 11.185 12.150 -0.100 1.00 1.45 C ATOM 1419 CE1 PHE A 147 13.805 11.306 -0.296 1.00 12.21 C ATOM 1420 CE2 PHE A 147 12.211 12.981 0.311 1.00 54.34 C ATOM 1421 CZ PHE A 147 13.522 12.558 0.213 1.00 12.34 C ATOM 0 H PHE A 147 10.095 10.896 -3.576 1.00 22.44 H new ATOM 0 HA PHE A 147 11.534 8.668 -2.257 1.00 63.05 H new ATOM 0 HB2 PHE A 147 9.430 10.582 -1.172 1.00 3.12 H new ATOM 0 HB3 PHE A 147 10.145 9.254 -0.279 1.00 3.12 H new ATOM 0 HD1 PHE A 147 13.001 9.501 -1.102 1.00 21.31 H new ATOM 0 HD2 PHE A 147 10.161 12.486 -0.021 1.00 1.45 H new ATOM 0 HE1 PHE A 147 14.829 10.973 -0.374 1.00 12.21 H new ATOM 0 HE2 PHE A 147 11.987 13.960 0.708 1.00 54.34 H new ATOM 0 HZ PHE A 147 14.325 13.205 0.534 1.00 12.34 H new ATOM 1431 N LEU A 148 9.360 7.239 -1.962 1.00 15.54 N ATOM 1432 CA LEU A 148 8.299 6.263 -2.184 1.00 53.11 C ATOM 1433 C LEU A 148 6.997 6.715 -1.530 1.00 53.14 C ATOM 1434 O LEU A 148 6.877 6.726 -0.305 1.00 71.42 O ATOM 1435 CB LEU A 148 8.712 4.897 -1.633 1.00 51.23 C ATOM 1436 CG LEU A 148 10.090 4.390 -2.061 1.00 35.20 C ATOM 1437 CD1 LEU A 148 10.401 3.061 -1.390 1.00 71.01 C ATOM 1438 CD2 LEU A 148 10.162 4.255 -3.575 1.00 73.10 C ATOM 0 H LEU A 148 9.989 7.010 -1.193 1.00 15.54 H new ATOM 0 HA LEU A 148 8.135 6.180 -3.258 1.00 53.11 H new ATOM 0 HB2 LEU A 148 8.686 4.944 -0.544 1.00 51.23 H new ATOM 0 HB3 LEU A 148 7.966 4.163 -1.939 1.00 51.23 H new ATOM 0 HG LEU A 148 10.838 5.117 -1.745 1.00 35.20 H new ATOM 0 HD11 LEU A 148 11.385 2.715 -1.706 1.00 71.01 H new ATOM 0 HD12 LEU A 148 10.392 3.189 -0.308 1.00 71.01 H new ATOM 0 HD13 LEU A 148 9.649 2.325 -1.675 1.00 71.01 H new ATOM 0 HD21 LEU A 148 11.149 3.893 -3.861 1.00 73.10 H new ATOM 0 HD22 LEU A 148 9.404 3.548 -3.914 1.00 73.10 H new ATOM 0 HD23 LEU A 148 9.984 5.227 -4.036 1.00 73.10 H new ATOM 1450 N ARG A 149 6.024 7.086 -2.356 1.00 74.31 N ATOM 1451 CA ARG A 149 4.730 7.537 -1.858 1.00 51.43 C ATOM 1452 C ARG A 149 3.880 6.355 -1.402 1.00 11.21 C ATOM 1453 O ARG A 149 3.781 5.344 -2.097 1.00 61.11 O ATOM 1454 CB ARG A 149 3.989 8.324 -2.941 1.00 61.13 C ATOM 1455 CG ARG A 149 4.434 9.773 -3.054 1.00 65.21 C ATOM 1456 CD ARG A 149 3.979 10.591 -1.856 1.00 34.42 C ATOM 1457 NE ARG A 149 4.096 12.026 -2.096 1.00 53.34 N ATOM 1458 CZ ARG A 149 3.980 12.943 -1.142 1.00 52.23 C ATOM 1459 NH1 ARG A 149 3.745 12.576 0.110 1.00 64.21 N ATOM 1460 NH2 ARG A 149 4.099 14.231 -1.440 1.00 30.21 N ATOM 0 H ARG A 149 6.107 7.083 -3.373 1.00 74.31 H new ATOM 0 HA ARG A 149 4.906 8.187 -1.001 1.00 51.43 H new ATOM 0 HB2 ARG A 149 4.138 7.831 -3.902 1.00 61.13 H new ATOM 0 HB3 ARG A 149 2.920 8.297 -2.731 1.00 61.13 H new ATOM 0 HG2 ARG A 149 5.520 9.816 -3.134 1.00 65.21 H new ATOM 0 HG3 ARG A 149 4.030 10.209 -3.968 1.00 65.21 H new ATOM 0 HD2 ARG A 149 2.943 10.346 -1.622 1.00 34.42 H new ATOM 0 HD3 ARG A 149 4.575 10.320 -0.985 1.00 34.42 H new ATOM 0 HE ARG A 149 4.277 12.342 -3.049 1.00 53.34 H new ATOM 0 HH11 ARG A 149 3.653 11.587 0.343 1.00 64.21 H new ATOM 0 HH12 ARG A 149 3.656 13.282 0.840 1.00 64.21 H new ATOM 0 HH21 ARG A 149 4.280 14.517 -2.402 1.00 30.21 H new ATOM 0 HH22 ARG A 149 4.010 14.934 -0.707 1.00 30.21 H new ATOM 1474 N ASP A 150 3.269 6.490 -0.230 1.00 22.10 N ATOM 1475 CA ASP A 150 2.427 5.434 0.319 1.00 22.53 C ATOM 1476 C ASP A 150 1.285 5.097 -0.635 1.00 3.42 C ATOM 1477 O ASP A 150 0.314 5.846 -0.743 1.00 73.04 O ATOM 1478 CB ASP A 150 1.866 5.854 1.678 1.00 13.43 C ATOM 1479 CG ASP A 150 1.573 4.668 2.576 1.00 14.40 C ATOM 1480 OD1 ASP A 150 2.483 4.249 3.322 1.00 74.13 O ATOM 1481 OD2 ASP A 150 0.433 4.160 2.534 1.00 51.13 O ATOM 0 H ASP A 150 3.341 7.320 0.358 1.00 22.10 H new ATOM 0 HA ASP A 150 3.042 4.544 0.448 1.00 22.53 H new ATOM 0 HB2 ASP A 150 2.578 6.514 2.173 1.00 13.43 H new ATOM 0 HB3 ASP A 150 0.951 6.427 1.528 1.00 13.43 H new ATOM 1486 N ILE A 151 1.410 3.968 -1.324 1.00 42.43 N ATOM 1487 CA ILE A 151 0.389 3.534 -2.269 1.00 33.11 C ATOM 1488 C ILE A 151 -0.944 3.296 -1.567 1.00 1.22 C ATOM 1489 O ILE A 151 -0.981 2.849 -0.421 1.00 13.20 O ATOM 1490 CB ILE A 151 0.809 2.244 -2.999 1.00 11.43 C ATOM 1491 CG1 ILE A 151 0.072 2.125 -4.334 1.00 43.35 C ATOM 1492 CG2 ILE A 151 0.535 1.029 -2.126 1.00 74.41 C ATOM 1493 CD1 ILE A 151 0.094 0.728 -4.914 1.00 13.21 C ATOM 0 H ILE A 151 2.208 3.337 -1.246 1.00 42.43 H new ATOM 0 HA ILE A 151 0.275 4.335 -3.000 1.00 33.11 H new ATOM 0 HB ILE A 151 1.879 2.289 -3.199 1.00 11.43 H new ATOM 0 HG12 ILE A 151 -0.964 2.437 -4.197 1.00 43.35 H new ATOM 0 HG13 ILE A 151 0.520 2.814 -5.050 1.00 43.35 H new ATOM 0 HG21 ILE A 151 0.837 0.125 -2.655 1.00 74.41 H new ATOM 0 HG22 ILE A 151 1.101 1.112 -1.198 1.00 74.41 H new ATOM 0 HG23 ILE A 151 -0.530 0.977 -1.898 1.00 74.41 H new ATOM 0 HD11 ILE A 151 -0.447 0.718 -5.860 1.00 13.21 H new ATOM 0 HD12 ILE A 151 1.126 0.420 -5.083 1.00 13.21 H new ATOM 0 HD13 ILE A 151 -0.381 0.037 -4.217 1.00 13.21 H new ATOM 1505 N GLU A 152 -2.036 3.597 -2.263 1.00 65.24 N ATOM 1506 CA GLU A 152 -3.371 3.414 -1.706 1.00 43.52 C ATOM 1507 C GLU A 152 -4.037 2.170 -2.285 1.00 64.43 C ATOM 1508 O GLU A 152 -4.446 2.156 -3.446 1.00 21.12 O ATOM 1509 CB GLU A 152 -4.236 4.645 -1.984 1.00 50.34 C ATOM 1510 CG GLU A 152 -3.809 5.878 -1.206 1.00 2.31 C ATOM 1511 CD GLU A 152 -4.988 6.694 -0.712 1.00 41.12 C ATOM 1512 OE1 GLU A 152 -5.807 6.147 0.055 1.00 75.30 O ATOM 1513 OE2 GLU A 152 -5.091 7.879 -1.093 1.00 33.23 O ATOM 0 H GLU A 152 -2.022 3.968 -3.213 1.00 65.24 H new ATOM 0 HA GLU A 152 -3.272 3.283 -0.628 1.00 43.52 H new ATOM 0 HB2 GLU A 152 -4.202 4.869 -3.050 1.00 50.34 H new ATOM 0 HB3 GLU A 152 -5.273 4.413 -1.740 1.00 50.34 H new ATOM 0 HG2 GLU A 152 -3.201 5.573 -0.354 1.00 2.31 H new ATOM 0 HG3 GLU A 152 -3.180 6.503 -1.840 1.00 2.31 H new ATOM 1520 N GLN A 153 -4.140 1.127 -1.468 1.00 71.40 N ATOM 1521 CA GLN A 153 -4.755 -0.123 -1.899 1.00 62.34 C ATOM 1522 C GLN A 153 -6.122 0.130 -2.527 1.00 3.44 C ATOM 1523 O GLN A 153 -6.636 1.248 -2.488 1.00 12.10 O ATOM 1524 CB GLN A 153 -4.893 -1.083 -0.716 1.00 55.14 C ATOM 1525 CG GLN A 153 -4.406 -2.491 -1.015 1.00 61.51 C ATOM 1526 CD GLN A 153 -5.413 -3.554 -0.621 1.00 12.42 C ATOM 1527 OE1 GLN A 153 -5.772 -3.681 0.550 1.00 25.43 O ATOM 1528 NE2 GLN A 153 -5.876 -4.323 -1.599 1.00 13.10 N ATOM 0 H GLN A 153 -3.806 1.123 -0.504 1.00 71.40 H new ATOM 0 HA GLN A 153 -4.109 -0.576 -2.651 1.00 62.34 H new ATOM 0 HB2 GLN A 153 -4.333 -0.686 0.131 1.00 55.14 H new ATOM 0 HB3 GLN A 153 -5.939 -1.126 -0.414 1.00 55.14 H new ATOM 0 HG2 GLN A 153 -4.190 -2.578 -2.080 1.00 61.51 H new ATOM 0 HG3 GLN A 153 -3.470 -2.668 -0.484 1.00 61.51 H new ATOM 0 HE21 GLN A 153 -5.551 -4.183 -2.556 1.00 13.10 H new ATOM 0 HE22 GLN A 153 -6.557 -5.054 -1.394 1.00 13.10 H new